4-(BIS(2-CHLOROETHYL)AMINO)-O-TOLUNITRILE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H14Cl2N2
Molecular Weight	257.159
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(BIS(2-CHLOROETHYL)AMINO)-O-TOLUNITRILE

Structure Search

SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)C#N

InChI

InChIKey=AFENMDJXRAINGX-UHFFFAOYSA-N

InChI=1S/C12H14Cl2N2/c1-10-8-12(3-2-11(10)9-15)16(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H14Cl2N2
Molecular Weight	257.159
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 19:59:26 GMT 2025` Edited by `admin` on `Tue Apr 01 19:59:26 GMT 2025`
Record UNII	TWY5T36F4D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-79084

Preferred Name

English

4-(BIS(2-CHLOROETHYL)AMINO)-O-TOLUNITRILE

Systematic Name

English

O-TOLUNITRILE, 4-(BIS(2-CHLOROETHYL)AMINO)-

Systematic Name

English

BENZONITRILE, 4-(BIS(2-CHLOROETHYL)AMINO)-2-METHYL-

Systematic Name

English

Code System Code Type Description

CAS

73940-94-0

Created by admin on Tue Apr 01 19:59:26 GMT 2025 , Edited by admin on Tue Apr 01 19:59:26 GMT 2025

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PUBCHEM

96538

Created by admin on Tue Apr 01 19:59:26 GMT 2025 , Edited by admin on Tue Apr 01 19:59:26 GMT 2025

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EPA CompTox

DTXSID30224611

Created by admin on Tue Apr 01 19:59:26 GMT 2025 , Edited by admin on Tue Apr 01 19:59:26 GMT 2025

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NSC

79084

Created by admin on Tue Apr 01 19:59:26 GMT 2025 , Edited by admin on Tue Apr 01 19:59:26 GMT 2025

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FDA UNII

TWY5T36F4D

Created by admin on Tue Apr 01 19:59:26 GMT 2025 , Edited by admin on Tue Apr 01 19:59:26 GMT 2025

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