U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H11N
Molecular Weight 121.1796
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-PHENETHYLAMINE, (+)-

SMILES

C[C@@H](N)C1=CC=CC=C1

InChI

InChIKey=RQEUFEKYXDPUSK-SSDOTTSWSA-N
InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H11N
Molecular Weight 121.1796
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
V022ZK8GZ5
Record Status Validated (UNII)
Record Version