1,3-bis[4-amino-n-(2-hydroxyethyl)anilino]propan-2-ol (CED0270432)

Record Information

Version

1.0

Creation Date

2026-08-29 18:20:49 UTC

Update Date

2026-08-29 18:20:49 UTC

SynCED ID

CED0270432

Secondary Accession Numbers

CHEM315556

Identification

Common Name

1,3-bis[4-amino-n-(2-hydroxyethyl)anilino]propan-2-ol

Class

Small Molecule

Description

1,3-bis[4-amino-n-(2-hydroxyethyl)anilino]propan-2-ol is a chemical compound with the formula C19H28N4O3. It has an average molecular weight of 360.50 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₈N₄O₃

Average Molecular Mass

Not Available

Monoisotopic Mass

360.216 g/mol

CAS Registry Number

128729-30-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1=CC(=CC=C1N)N(CCO)CC(CN(CCO)C2=CC=C(C=C2)N)O

InChI Identifier

InChI=1S/C19H28N4O3/c20-15-1-5-17(6-2-15)22(9-11-24)13-19(26)14-23(10-12-25)18-7-3-16(21)4-8-18/h1-8,19,24-26H,9-14,20-21H2

InChI Key

VIXBPSTZNCRCJE-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1423.0 Log mg/kg [800:2500]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	PubChem
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000612	Body Washing Or Cleaning Implements?Body washing or cleaning implements, such as synthetic sponges, loofahs, and washcloths, can be sources of synthetic chemical contamination due to the materials used in their production.	Personal care & cosmetics	PubChem
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000614	Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	PubChem
CEDs000630	Toys?Toys, particularly those made from synthetic materials such as plastics, can be a source of chemical contamination due to the presence of various additives and compounds used in their production.	Recreation & sports surfaces	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000633	Azo Dyes?Azo dyes are synthetic organic compounds characterized by the presence of one or more azo groups (-N=N-), which are widely used for coloring textiles, leather, and furnishings.	Textiles, leather & furnishings	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Protein Tat	P04608	Human immunodeficiency virus type 1 group M subtype B (isolate HXB2)(HIV-1)	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.69 Statistical Significance 0.0135 Supporting Reference Compounds 108 E-value 105.408
Click to view 3D structure	Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	Q9BHT9	Plasmodium berghei	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.69 Statistical Significance 0.0248 Supporting Reference Compounds 105 E-value 193.3
Click to view 3D structure	G protein-activated inward rectifier potassium channel 1	P48549	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.231 Low confidence Statistical Significance 7.50e-04 Supporting Reference Compounds 1 E-value 5.83869
Click to view 3D structure	Exopolyphosphatase PRUNE1	Q86TP1	Humans	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.222 Low confidence Statistical Significance 1.70e-04 Supporting Reference Compounds 2 E-value 1.32344
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.222 Low confidence Statistical Significance 0.3889 Supporting Reference Compounds 372 E-value 3027.4
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.222 Low confidence Statistical Significance 0.45 Supporting Reference Compounds 472 E-value 3503.53
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.222 Low confidence Statistical Significance 0.2966 Supporting Reference Compounds 242 E-value 2308.85
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.222 Low confidence Statistical Significance 0.3965 Supporting Reference Compounds 407 E-value 3086.41
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.222 Low confidence Statistical Significance 0.1904 Supporting Reference Compounds 157 E-value 1482.33
Click to view 3D structure	LIM domain kinase 1	P53667	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.217 Low confidence Statistical Significance 0.7036 Supporting Reference Compounds 565 E-value 5477.16
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.222 Low confidence Statistical Significance 0.0943 Supporting Reference Compounds 60 E-value 733.962
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.222 Low confidence Statistical Significance 0.1043 Supporting Reference Compounds 68 E-value 812.357
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.222 Low confidence Statistical Significance 0.0761 Supporting Reference Compounds 55 E-value 592.588
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.222 Low confidence Statistical Significance 0.0995 Supporting Reference Compounds 64 E-value 774.522
Click to view 3D structure	Delta carbonic anhydrase	Q5U9J1	Conticribra weissflogii	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.222 Low confidence Statistical Significance 0.0253 Supporting Reference Compounds 35 E-value 197.192
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.217 Low confidence Statistical Significance 0.8128 Supporting Reference Compounds 834 E-value 6327.43
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.222 Low confidence Statistical Significance 0.0276 Supporting Reference Compounds 40 E-value 214.864
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.222 Low confidence Statistical Significance 0.4702 Supporting Reference Compounds 332 E-value 3660.86
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.222 Low confidence Statistical Significance 0.0317 Supporting Reference Compounds 44 E-value 246.471
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.222 Low confidence Statistical Significance 0.0348 Supporting Reference Compounds 38 E-value 270.993
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.222 Low confidence Statistical Significance 0.0648 Supporting Reference Compounds 46 E-value 504.541
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.222 Low confidence Statistical Significance 0.0291 Supporting Reference Compounds 43 E-value 226.541
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.222 Low confidence Statistical Significance 0.2543 Supporting Reference Compounds 151 E-value 1979.94
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.222 Low confidence Statistical Significance 0.0276 Supporting Reference Compounds 41 E-value 214.864
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.222 Low confidence Statistical Significance 0.0291 Supporting Reference Compounds 41 E-value 226.541