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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H12ClN.ClH
Molecular Weight 254.155
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-Chlorophenyl)(phenyl)methanamine hydrochloride, (S)-

SMILES

Cl.N[C@@H](C1=CC=CC=C1)C2=CC=C(Cl)C=C2

InChI

InChIKey=UHPRBUXOILBKFH-ZOWNYOTGSA-N
InChI=1S/C13H12ClN.ClH/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10;/h1-9,13H,15H2;1H/t13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C13H12ClN
Molecular Weight 217.694
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 20:07:23 GMT 2023
Edited
by admin
on Sat Dec 16 20:07:23 GMT 2023
Record UNII
L5B3J2XUT9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-Chlorophenyl)(phenyl)methanamine hydrochloride, (S)-
Systematic Name English
Benzenemethanamine, 4-chloro-α-phenyl-, hydrochloride (1:1), (αS)-
Systematic Name English
(S)-(4-Chlorophenyl)(phenyl)methanamine hydrochloride
Systematic Name English
Benzenemethanamine, 4-chloro-α-phenyl-, hydrochloride, (αS)-
Systematic Name English
Code System Code Type Description
PUBCHEM
50999286
Created by admin on Sat Dec 16 20:07:23 GMT 2023 , Edited by admin on Sat Dec 16 20:07:23 GMT 2023
PRIMARY
CAS
451503-28-9
Created by admin on Sat Dec 16 20:07:23 GMT 2023 , Edited by admin on Sat Dec 16 20:07:23 GMT 2023
PRIMARY
FDA UNII
L5B3J2XUT9
Created by admin on Sat Dec 16 20:07:23 GMT 2023 , Edited by admin on Sat Dec 16 20:07:23 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
RACEMATE -> ENANTIOMER