Isopropyl 3-(4-aminobenzoyl)propionate hydrochloride

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H17NO3.ClH
Molecular Weight	271.74
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Isopropyl 3-(4-aminobenzoyl)propionate hydrochloride

Structure Search

SMILES

Cl.CC(C)OC(=O)CCC(=O)C1=CC=C(N)C=C1

InChI

InChIKey=YVKJHVBLLDCFIQ-UHFFFAOYSA-N

InChI=1S/C13H17NO3.ClH/c1-9(2)17-13(16)8-7-12(15)10-3-5-11(14)6-4-10;/h3-6,9H,7-8,14H2,1-2H3;1H

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	C13H17NO3
Molecular Weight	235.279
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 20:37:26 GMT 2025` Edited by `admin` on `Tue Apr 01 20:37:26 GMT 2025`
Record UNII	PNA2UK79TB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Isopropyl 3-(4-aminobenzoyl)propionate hydrochloride

Systematic Name

English

1-Methylethyl 4-amino-?-oxobenzenebutanoate hydrochloride

Preferred Name

English

Benzenebutanoic acid, 4-amino-?-oxo-, 1-methylethyl ester, hydrochloride

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

299-079-4

Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025

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PUBCHEM

3022642

Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025

PRIMARY

EPA CompTox

DTXSID30239780

Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025

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CAS

93843-02-8

Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025

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FDA UNII

PNA2UK79TB

Created by admin on Tue Apr 01 20:37:26 GMT 2025 , Edited by admin on Tue Apr 01 20:37:26 GMT 2025

PRIMARY

Related Record Type Details


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Isopropyl 3-(4-aminobenzoyl)propionate

PARENT -> SALT/SOLVATE

Amount: