[1,1'-Biphenyl]-3,3',4,4'-tetramine hydrochloride (CED0004256)

Record Information

Version

1.0

Creation Date

2026-04-05 21:19:51 UTC

Update Date

2026-04-05 21:19:51 UTC

SynCED ID

CED0004256

Secondary Accession Numbers

CHEM109685

Identification

Common Name

[1,1'-Biphenyl]-3,3',4,4'-tetramine hydrochloride

Class

Small Molecule

Description

[1,1'-Biphenyl]-3,3',4,4'-tetramine hydrochloride belongs to the biphenyls and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. It is classified as a benzenoid with the chemical formula C12H15ClN4.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₁₅ClN₄

Average Molecular Mass

Not Available

Monoisotopic Mass

250.099 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C12H14N4.ClH/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8;/h1-6H,13-16H2;1H

InChI Key

KVFGMHZJTRXVMN-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
723.0 Log mg/kg [410:1300]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000070	Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.	Automotive & urban infrastructure	Not Available
CEDs000678	Nitrogenous Fertilisers?Nitrogenous fertilizers are synthetic chemical compounds primarily used to enhance plant growth by supplying essential nitrogen, a crucial nutrient for photosynthesis and protein synthesis.	Agriculture & land management	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
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	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

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	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0215 Supporting Reference Compounds 64 E-value 167.298
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.1057 Supporting Reference Compounds 372 E-value 823.022
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.1344 Supporting Reference Compounds 472 E-value 1046.29
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0645 Supporting Reference Compounds 242 E-value 502.05
Click to view 3D structure	Carbonate dehydratase	B2V8E3	Sulfurihydrogenibium sp. (strain YO3AOP1)	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0082 Supporting Reference Compounds 40 E-value 63.6028
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0936 Supporting Reference Compounds 332 E-value 728.435
Click to view 3D structure	Carbonic anhydrase	O24855	Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori)	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0089 Supporting Reference Compounds 38 E-value 69.5194
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0154 Supporting Reference Compounds 46 E-value 119.732
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0081 Supporting Reference Compounds 43 E-value 63.3693
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0161 Supporting Reference Compounds 60 E-value 125.415
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0335 Supporting Reference Compounds 151 E-value 260.717
Click to view 3D structure	Carbonic anhydrase	P53615	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0075 Supporting Reference Compounds 34 E-value 58.3091
Click to view 3D structure	Carbonic anhydrase, alpha family	Q31FD6	Thiomicrospira crunogena	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0082 Supporting Reference Compounds 41 E-value 63.6028
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.049 Supporting Reference Compounds 172 E-value 381.15
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0196 Supporting Reference Compounds 68 E-value 152.429
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.1106 Supporting Reference Compounds 407 E-value 861.246
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0081 Supporting Reference Compounds 41 E-value 63.3693
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0201 Supporting Reference Compounds 78 E-value 156.71
Click to view 3D structure	Beta-carbonic anhydrase 1	P9WPJ7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0162 Supporting Reference Compounds 55 E-value 125.804
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0417 Supporting Reference Compounds 193 E-value 324.787
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0173 Supporting Reference Compounds 70 E-value 134.446
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.276 Low confidence Statistical Significance 0.0356 Supporting Reference Compounds 157 E-value 276.832
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.276 Low confidence Statistical Significance 0.0061 Supporting Reference Compounds 22 E-value 47.488
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.276 Low confidence Statistical Significance 0.0552 Supporting Reference Compounds 165 E-value 429.883
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.28 Low confidence Statistical Significance 0.6354 Supporting Reference Compounds 1538 E-value 4946.62