3-Amino-3-methylbutan-1-ol (CED0164581)

Record Information

Version

1.0

Creation Date

2026-04-04 01:25:07 UTC

Update Date

2026-08-22 21:01:59 UTC

SynCED ID

CED0164581

Secondary Accession Numbers

CHEM070074

Identification

Common Name

3-Amino-3-methylbutan-1-ol

Class

Small Molecule

Description

3-Amino-3-methylbutan-1-ol (C5H13N1O1) is an organic nitrogen compound with an average molecular weight of 103.17 g/mol. 3-Amino-3-methylbutan-1-ol belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. This compound is found in or released from one recorded source: indoor air, dust, and atmospheric transport. The recorded exposure route for this substance is inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₁₃N₁O₁

Average Molecular Mass

103.165 g/mol

Monoisotopic Mass

103.100 g/mol

CAS Registry Number

42514-50-1

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)(N)CCO

InChI Identifier

InChI=1S/C5H13NO/c1-5(2,6)3-4-7/h7H,3-4,6H2,1-2H3

InChI Key

PHRHXTTZZWUGNN-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
1455.0 Log mg/kg [820:2600]	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
CEDs000019	Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.	Air, dust & atmospheric transport	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000657	Surface Finishing Of Leather?Surface finishing of leather often involves the use of various synthetic chemicals, including dyes, resins, and finishing agents.	Textiles, leather & furnishings	PubChem
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	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
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Troponin C, slow skeletal and cardiac muscles	P63316	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.229 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 2 E-value 29.8941
Click to view 3D structure	Ceramide synthase 1	P27545	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0135 Supporting Reference Compounds 1 E-value 105.486
Click to view 3D structure	Ceramide synthase 4	Q9HA82	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0135 Supporting Reference Compounds 1 E-value 105.486
Click to view 3D structure	Ceramide synthase 6	Q6ZMG9	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0135 Supporting Reference Compounds 1 E-value 105.486
Click to view 3D structure	Ceramide synthase 2	Q924Z4	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0135 Supporting Reference Compounds 1 E-value 105.486
Click to view 3D structure	Ceramide synthase 5	Q9D6K9	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0135 Supporting Reference Compounds 1 E-value 105.486
Click to view 3D structure	Ceramide synthase 1	P27544	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 0.0135 Supporting Reference Compounds 1 E-value 105.486
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.172 Low confidence Statistical Significance 0.0035 Supporting Reference Compounds 1 E-value 27.2472
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.16 Low confidence Statistical Significance 0.0042 Supporting Reference Compounds 2 E-value 32.9302
Click to view 3D structure	Farnesyl pyrophosphate synthase	P14324	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.161 Low confidence Statistical Significance 0.2409 Supporting Reference Compounds 22 E-value 1875.08
Click to view 3D structure	Cannabinoid receptor 1	P20272	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.19 Low confidence Statistical Significance 0.7688 Supporting Reference Compounds 83 E-value 5985.13
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P11507	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.154 Low confidence Statistical Significance 0.0152 Supporting Reference Compounds 1 E-value 118.409
Click to view 3D structure	Geranylgeranyl pyrophosphate synthase	O95749	Humans	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.161 Low confidence Statistical Significance 0.1287 Supporting Reference Compounds 15 E-value 1002.08
Click to view 3D structure	Farnesyl pyrophosphate synthase	Q0GKD7	Leishmania donovani	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.161 Low confidence Statistical Significance 0.0753 Supporting Reference Compounds 14 E-value 586.36
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.156 Low confidence Statistical Significance 0.9562 Supporting Reference Compounds 372 E-value 7443.79
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.156 Low confidence Statistical Significance 0.9127 Supporting Reference Compounds 193 E-value 7105.61
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.156 Low confidence Statistical Significance 0.9747 Supporting Reference Compounds 472 E-value 7587.65
Click to view 3D structure	Sphingosine 1-phosphate receptor 3	Q99500	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.229 Low confidence Statistical Significance 0.8667 Supporting Reference Compounds 59 E-value 6747.11
Click to view 3D structure	Isopentenyl-diphosphate Delta-isomerase 1	O35760	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.147 Low confidence Statistical Significance 9.90e-04 Supporting Reference Compounds 1 E-value 7.70707
Click to view 3D structure	Farnesyl pyrophosphate synthase	P05369	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.147 Low confidence Statistical Significance 9.90e-04 Supporting Reference Compounds 1 E-value 7.70707
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.156 Low confidence Statistical Significance 0.9703 Supporting Reference Compounds 407 E-value 7553.4
Click to view 3D structure	Thiamine transporter ThiT	A2RI47	Lactococcus lactis subsp. cremoris (strain MG1363)	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.156 Low confidence Statistical Significance 0.0267 Supporting Reference Compounds 2 E-value 207.857
Click to view 3D structure	Pantothenate kinase, putative	Q8ILP4	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.278 Supporting Reference Compounds 1 E-value 2164.6
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.19 Low confidence Statistical Significance 0.9169 Supporting Reference Compounds 102 E-value 7138.15
Click to view 3D structure	Lactase/phlorizin hydrolase	Q02401	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.172 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 7 E-value 12.3002