4-[Bis(2-chloroethyl)amino]benzenepentanoic acid

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H21Cl2NO2
Molecular Weight	318.239
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-[Bis(2-chloroethyl)amino]benzenepentanoic acid

Structure Search

SMILES

OC(=O)CCCCC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChIKey=YQMOTGVJXOHLKM-UHFFFAOYSA-N

InChI=1S/C15H21Cl2NO2/c16-9-11-18(12-10-17)14-7-5-13(6-8-14)3-1-2-4-15(19)20/h5-8H,1-4,9-12H2,(H,19,20)

HIDE SMILES / InChI

Molecular Formula	C15H21Cl2NO2
Molecular Weight	318.239
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 20:00:34 GMT 2023` Edited by `admin` on `Sat Dec 16 20:00:34 GMT 2023`
Record UNII	TDC9VU3T9L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-[Bis(2-chloroethyl)amino]benzenepentanoic acid

Systematic Name

English

Bis(2-chloroethyl)aminophenyl)pentanoic acid, 5-(4-

Common Name

English

NSC-74747

Code

English

Benzenepentanoic acid, 4-[bis(2-chloroethyl)amino]-

Systematic Name

English

Code System Code Type Description

FDA UNII

TDC9VU3T9L

Created by admin on Sat Dec 16 20:00:34 GMT 2023 , Edited by admin on Sat Dec 16 20:00:34 GMT 2023

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EPA CompTox

DTXSID70214778

Created by admin on Sat Dec 16 20:00:34 GMT 2023 , Edited by admin on Sat Dec 16 20:00:34 GMT 2023

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NSC

74747

Created by admin on Sat Dec 16 20:00:34 GMT 2023 , Edited by admin on Sat Dec 16 20:00:34 GMT 2023

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PUBCHEM

96446

Created by admin on Sat Dec 16 20:00:34 GMT 2023 , Edited by admin on Sat Dec 16 20:00:34 GMT 2023

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CAS

64508-90-3

Created by admin on Sat Dec 16 20:00:34 GMT 2023 , Edited by admin on Sat Dec 16 20:00:34 GMT 2023

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