2-CHLOROETHYL 3-AMINO-4-METHYLBENZOATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12ClNO2
Molecular Weight	213.661
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-CHLOROETHYL 3-AMINO-4-METHYLBENZOATE

Structure Search

SMILES

CC1=CC=C(C=C1N)C(=O)OCCCl

InChI

InChIKey=LBGGAUWOOUUZMV-UHFFFAOYSA-N

InChI=1S/C10H12ClNO2/c1-7-2-3-8(6-9(7)12)10(13)14-5-4-11/h2-3,6H,4-5,12H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H12ClNO2
Molecular Weight	213.661
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 `Tue Apr 01 17:48:26 GMT 2025` Edited by `admin` on `Tue Apr 01 17:48:26 GMT 2025`
Record UNII	5SC7JMC614
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-CHLOROETHYL 3-AMINO-4-METHYLBENZOATE

Systematic Name

English

2'-CHLOROETHYL 3-AMINO-4-METHYLBENZOATE

Preferred Name

English

3-AMINO-4-METHYLBENZOIC ACID 2-CHLOROETHYL ESTER

Systematic Name

English

BENZOIC ACID, 3-AMINO-4-METHYL-, 2-CHLOROETHYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

83488-00-0

Created by admin on Tue Apr 01 17:48:26 GMT 2025 , Edited by admin on Tue Apr 01 17:48:26 GMT 2025

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ECHA (EC/EINECS)

280-463-5

Created by admin on Tue Apr 01 17:48:26 GMT 2025 , Edited by admin on Tue Apr 01 17:48:26 GMT 2025

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EPA CompTox

DTXSID90232373

Created by admin on Tue Apr 01 17:48:26 GMT 2025 , Edited by admin on Tue Apr 01 17:48:26 GMT 2025

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FDA UNII

5SC7JMC614

Created by admin on Tue Apr 01 17:48:26 GMT 2025 , Edited by admin on Tue Apr 01 17:48:26 GMT 2025

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PUBCHEM

21889406

Created by admin on Tue Apr 01 17:48:26 GMT 2025 , Edited by admin on Tue Apr 01 17:48:26 GMT 2025

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