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Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15N
Molecular Weight 149.2328
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-PHENYLBUTAN-2-AMINE, (S)-

SMILES

C[C@H](N)CCC1=CC=CC=C1

InChI

InChIKey=WECUIGDEWBNQJJ-VIFPVBQESA-N
InChI=1S/C10H15N/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6,9H,7-8,11H2,1H3/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H15N
Molecular Weight 149.2328
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:25:40 UTC 2023
Edited
by admin
on Sat Dec 16 11:25:40 UTC 2023
Record UNII
ATN027167D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-PHENYLBUTAN-2-AMINE, (S)-
Systematic Name English
BENZENEPROPANAMINE, .ALPHA.-METHYL-, (S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30426390
Created by admin on Sat Dec 16 11:25:40 UTC 2023 , Edited by admin on Sat Dec 16 11:25:40 UTC 2023
PRIMARY
PUBCHEM
6994564
Created by admin on Sat Dec 16 11:25:40 UTC 2023 , Edited by admin on Sat Dec 16 11:25:40 UTC 2023
PRIMARY
CAS
4187-57-9
Created by admin on Sat Dec 16 11:25:40 UTC 2023 , Edited by admin on Sat Dec 16 11:25:40 UTC 2023
PRIMARY
FDA UNII
ATN027167D
Created by admin on Sat Dec 16 11:25:40 UTC 2023 , Edited by admin on Sat Dec 16 11:25:40 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER