Methyl (αS)-α-amino-2-chlorobenzeneacetate hydrochloride

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 (αS)-α-amino-2-chlorobenzeneacetate hydrochloride

Structure Search

SMILES

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

InChI

InChIKey=SUUNIMMHDPICBD-QRPNPIFTSA-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-;/m0./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 19:53:29 GMT 2023` Edited by `admin` on `Sat Dec 16 19:53:29 GMT 2023`
Record UNII	7TAX9F47Z5
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Methyl (αS)-α-amino-2-chlorobenzeneacetate hydrochloride

Systematic Name

English

Benzeneacetic acid, α-amino-2-chloro-, methyl ester, hydrochloride, (αS)-

Systematic Name

English

Benzeneacetic acid, α-amino-2-chloro-, methyl ester, hydrochloride (1:1), (αS)-

Systematic Name

English

(+)-(S)-Methyl α-amino-α-(2-chlorophenyl)acetate hydrochloride

Systematic Name

English

Methyl α-amino-α-(2-chlorophenyl)acetate hydrochloride, (+)-(S)-

Systematic Name

English

Methyl (S)-2-amino-2-(2-chlorophenyl)acetate hydrochloride

Systematic Name

English

Methyl (2S)-amino(2-chlorophenyl)acetate hydrochloride

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10647829

Created by admin on Sat Dec 16 19:53:30 GMT 2023 , Edited by admin on Sat Dec 16 19:53:30 GMT 2023

PRIMARY

PUBCHEM

24887640

Created by admin on Sat Dec 16 19:53:30 GMT 2023 , Edited by admin on Sat Dec 16 19:53:30 GMT 2023

PRIMARY

FDA UNII

7TAX9F47Z5

Created by admin on Sat Dec 16 19:53:30 GMT 2023 , Edited by admin on Sat Dec 16 19:53:30 GMT 2023

PRIMARY

CAS

213018-92-9

Created by admin on Sat Dec 16 19:53:30 GMT 2023 , Edited by admin on Sat Dec 16 19:53:30 GMT 2023

PRIMARY

Related Record Type Details


					644E43P42U

Methyl (αS)-α-amino-2-chlorobenzeneacetate

PARENT -> SALT/SOLVATE

Amount:


					8E7AA324BX

Methyl α-amino-2-chlorobenzeneacetate hydrochloride

RACEMATE -> ENANTIOMER

Amount: