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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H10ClNO2.ClH
Molecular Weight 236.095
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Methyl (αR)-α-amino-2-chlorobenzeneacetate hydrochloride

SMILES

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

InChI

InChIKey=SUUNIMMHDPICBD-DDWIOCJRSA-N
InChI=1S/C9H10ClNO2.ClH/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;/h2-5,8H,11H2,1H3;1H/t8-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula C9H10ClNO2
Molecular Weight 199.634
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity ( - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:49:44 GMT 2023
Edited
by admin
on Sat Dec 16 19:49:44 GMT 2023
Record UNII
MF2H93S9KH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Methyl (αR)-α-amino-2-chlorobenzeneacetate hydrochloride
Systematic Name English
Benzeneacetic acid, α-amino-2-chloro-, methyl ester, hydrochloride (1:1), (αR)-
Systematic Name English
(R)-Methyl 2-amino-2-(2-chlorophenyl)acetate hydrochloride
Systematic Name English
Benzeneacetic acid, α-amino-2-chloro-, methyl ester, hydrochloride, (αR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
66570694
Created by admin on Sat Dec 16 19:49:44 GMT 2023 , Edited by admin on Sat Dec 16 19:49:44 GMT 2023
PRIMARY
FDA UNII
MF2H93S9KH
Created by admin on Sat Dec 16 19:49:44 GMT 2023 , Edited by admin on Sat Dec 16 19:49:44 GMT 2023
PRIMARY
CAS
212838-70-5
Created by admin on Sat Dec 16 19:49:44 GMT 2023 , Edited by admin on Sat Dec 16 19:49:44 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
PARENT -> SALT/SOLVATE