MiMeDB: Showing metabocard for 1-Phenylethylamine (MMDBc0000402)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:36:57 UTC

Update Date

2024-10-09 15:29:09 UTC

Metabolite ID

MMDBc0000402

Metabolite Identification

Common Name

1-Phenylethylamine

Description

1-Phenylethylamine, or alpha-phenethylamine, is an amine. Individual enantiomers of this basic compound are useful for performing chiral resolution of acidic compounds by forming diastereomeric salts. -- Wikipedia .

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1-Amino-1-phenylethane	ChEBI
1-Phenethylamine	ChEBI
alpha-Aminoethylbenzene	ChEBI
alpha-Methylbenzenemethanamine	ChEBI
alpha-Methylbenzylamine	ChEBI
alpha-Phenylethylamine	ChEBI
a-Aminoethylbenzene	Generator
Α-aminoethylbenzene	Generator
a-Methylbenzenemethanamine	Generator
Α-methylbenzenemethanamine	Generator
a-Methylbenzylamine	Generator
Α-methylbenzylamine	Generator
a-Phenylethylamine	Generator
Α-phenylethylamine	Generator
1-Phenethylamine hydrochloride	MeSH
1-Phenethylamine hydrochloride, (+-)-isomer	MeSH
1-Phenethylamine, (+-)-isomer	MeSH
1-Phenethylamine, (R)-isomer	MeSH
1-Phenethylamine, (S)-isomer	MeSH
(1-Aminoethyl)benzene	HMDB
1-Fenylethylamin	HMDB
1-Phenyl-1-ethanamine	HMDB
1-Phenylethanamine	HMDB
a-Phenethylamine	HMDB
alpha-Phenethylamine	HMDB
Sumine 2079	HMDB

Molecular Formula

C₈H₁₁N

Average Mass

121.1796

Monoisotopic Mass

121.089149357

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3

InChI Key

RQEUFEKYXDPUSK-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Physical Properties

Spectra

Biological Properties

Human Proteins and Enzymes

Human Pathways

Metabolic Reactions

Health Effects and Bioactivity

Microbial Sources

Exposure Sources

Host Biospecimen and Location

External Links

References

Showing metabocard for 1-Phenylethylamine (MMDBc0000402)

MOL for #<Metabolite:0x00007fb7e4ac3098>

3D MOL for #<Metabolite:0x00007fb7e4ac3098>

3D SDF for #<Metabolite:0x00007fb7e4ac3098>

3D-SDF for #<Metabolite:0x00007fb7e4ac3098>

PDB for #<Metabolite:0x00007fb7e4ac3098>

3D PDB for #<Metabolite:0x00007fb7e4ac3098>

SMILES for #<Metabolite:0x00007fb7e4ac3098>

INCHI for #<Metabolite:0x00007fb7e4ac3098>

Structure for #<Metabolite:0x00007fb7e4ac3098>

3D Structure for #<Metabolite:0x00007fb7e4ac3098>