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1-Amino-2-methylbutane Details

: IUPAC Name
2-Methylbutylamine
:Chemical Class
Alkane
:CAS Registry Number
64-04-0
:Description

:Fragrance Type
fishy

Physical and Chemical properties

PUBCHEM ID7283
Molecular Weight (mg/mol)87.166
Molecular FormulaC8H11N
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
IUPAC Name2-Methylbutylamine
Canonical SMILESCCC(C)CN
PUBCHEM IUPAC INCHIKEYBHHGXPLMPWCGHP-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-0.911

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA102.11
BBB Level2
Absorption Level0
EXT PPB#Prediction0
AlogP981
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDASingle-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD500.355158
Ocular IrritancySevere
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Mild
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 64-04-0 ADRA1A Homo sapiens phenethylamine binds to and results in decreased activity of ADRA1A protein affects^binding|decreases^activity 20217639
2 64-04-0 ADRA1A Homo sapiens phenethylamine binds to and results in decreased activity of ADRA1A protein affects^binding|decreases^activity 20217639
3 64-04-0 ADRA2A Homo sapiens phenethylamine binds to ADRA2A protein affects^binding 20217639
4 64-04-0 ADRA2A Homo sapiens phenethylamine binds to ADRA2A protein affects^binding 20217639
5 64-04-0 ADRA2C Homo sapiens phenethylamine binds to ADRA2C protein affects^binding 20217639
6 64-04-0 ADRA2C Homo sapiens phenethylamine binds to ADRA2C protein affects^binding 20217639
7 64-04-0 MAOB Oryctolagus cuniculus phenethylamine results in increased activity of MAOB protein increases^activity 17561096
8 64-04-0 MAOB Oryctolagus cuniculus phenethylamine results in increased activity of MAOB protein increases^activity 17561096
9 64-04-0 SLC6A2 Homo sapiens SLC6A2 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] increases^activity|increases^reaction 17234900
10 64-04-0 SLC6A2 Homo sapiens SLC6A2 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] increases^activity|increases^reaction 17234900
11 64-04-0 SLC6A3 Homo sapiens SLC6A3 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] increases^activity|increases^reaction 17234900
12 64-04-0 SLC6A3 Homo sapiens SLC6A3 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] increases^activity|increases^reaction 17234900
13 64-04-0 SLC6A4 Homo sapiens SLC6A4 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] increases^activity|increases^reaction 17234900
14 64-04-0 SLC6A4 Homo sapiens SLC6A4 protein promotes the reaction [phenethylamine results in increased activity of TAAR1 protein] increases^activity|increases^reaction 17234900
15 64-04-0 TAAR1 Homo sapiens phenethylamine results in increased activity of TAAR1 protein increases^activity 19725810
16 64-04-0 TAAR1 Homo sapiens phenethylamine results in increased activity of TAAR1 protein increases^activity 19725810
17 64-04-0 TAAR1 Homo sapiens [phenethylamine results in increased activity of TAAR1 protein] which results in increased abundance of Cyclic AMP increases^abundance|increases^activity 19725810
18 64-04-0 TAAR1 Homo sapiens [phenethylamine results in increased activity of TAAR1 protein] which results in increased abundance of Cyclic AMP increases^abundance|increases^activity 19725810
19 64-04-0 TAAR1 Macaca mulatta phenethylamine binds to and results in increased activity of TAAR1 protein affects^binding|increases^activity 15764732
20 64-04-0 TAAR1 Macaca mulatta phenethylamine binds to and results in increased activity of TAAR1 protein affects^binding|increases^activity 15764732
21 64-04-0 TAAR1 Macaca mulatta [phenethylamine binds to and results in increased activity of TAAR1 protein] which results in increased abundance of Cyclic AMP affects^binding|increases^abundance|increases^activity 15764732
22 64-04-0 TAAR1 Macaca mulatta [phenethylamine binds to and results in increased activity of TAAR1 protein] which results in increased abundance of Cyclic AMP affects^binding|increases^abundance|increases^activity 15764732
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 64-04-0 1-Amino-2-methylbutane

Compound Image


2D Structure

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