N1,N1-bis(2-chloroethyl)-3-methylbenzene-1,4-diamine

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H16Cl2N2
Molecular Weight	247.164
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N1,N1-bis(2-chloroethyl)-3-methylbenzene-1,4-diamine

Structure Search

SMILES

CC1=CC(=CC=C1N)N(CCCl)CCCl

InChI

InChIKey=NCVPWROAIIKSEJ-UHFFFAOYSA-N

InChI=1S/C11H16Cl2N2/c1-9-8-10(2-3-11(9)14)15(6-4-12)7-5-13/h2-3,8H,4-7,14H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H16Cl2N2
Molecular Weight	247.164
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 `Mon Mar 31 18:45:04 GMT 2025` Edited by `admin` on `Mon Mar 31 18:45:04 GMT 2025`
Record UNII	EP33T6W7NY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-di-(2-Chloroethyl)amino-2-methylaniline

Preferred Name

English

N1,N1-bis(2-chloroethyl)-3-methylbenzene-1,4-diamine

Systematic Name

English

BIS(2-CHLOROETHYL)-3-METHYL-1,4-BENZENEDIAMINE, N(1),N(1)-

Systematic Name

English

1,4-Benzenediamine, N4,N4-bis(2-chloroethyl)-2-methyl-

Systematic Name

English

4-N,4-N-bis(2-chloroethyl)-2-methylbenzene-1,4-diamine

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90189075

Created by admin on Mon Mar 31 18:45:04 GMT 2025 , Edited by admin on Mon Mar 31 18:45:04 GMT 2025

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FDA UNII

EP33T6W7NY

Created by admin on Mon Mar 31 18:45:04 GMT 2025 , Edited by admin on Mon Mar 31 18:45:04 GMT 2025

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CAS

35606-95-2

Created by admin on Mon Mar 31 18:45:04 GMT 2025 , Edited by admin on Mon Mar 31 18:45:04 GMT 2025

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PUBCHEM

160252

Created by admin on Mon Mar 31 18:45:04 GMT 2025 , Edited by admin on Mon Mar 31 18:45:04 GMT 2025

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Related Record Type Details


					5S8X3EKN9Z

N<sup>1</sup>,N<sup>1</sup>-bis(2-chloroethyl)-3-methylbenzene-1,4-diamine hydrochloride

SALT/SOLVATE -> PARENT

Amount: