N-BUTYL-N-(2-CHLOROETHYL)ANILINE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H18ClN
Molecular Weight	211.731
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-BUTYL-N-(2-CHLOROETHYL)ANILINE

Structure Search

SMILES

CCCCN(CCCl)C1=CC=CC=C1

InChI

InChIKey=NBTVRDMLLMEWOF-UHFFFAOYSA-N

InChI=1S/C12H18ClN/c1-2-3-10-14(11-9-13)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3

HIDE SMILES / InChI

Molecular Formula	C12H18ClN
Molecular Weight	211.731
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 20:25:10 GMT 2025` Edited by `admin` on `Tue Apr 01 20:25:10 GMT 2025`
Record UNII	BU4WU6CS2B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZENAMINE, N-BUTYL-N-(2-CHLOROETHYL)-

Preferred Name

English

N-BUTYL-N-(2-CHLOROETHYL)ANILINE

Systematic Name

English

N-BUTYL-N-(2-CHLOROETHYL)BENZENAMINE

Systematic Name

English

Code System Code Type Description

CAS

53817-39-3

Created by admin on Tue Apr 01 20:25:10 GMT 2025 , Edited by admin on Tue Apr 01 20:25:10 GMT 2025

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ECHA (EC/EINECS)

258-801-8

Created by admin on Tue Apr 01 20:25:10 GMT 2025 , Edited by admin on Tue Apr 01 20:25:10 GMT 2025

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EPA CompTox

DTXSID70202094

Created by admin on Tue Apr 01 20:25:10 GMT 2025 , Edited by admin on Tue Apr 01 20:25:10 GMT 2025

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PUBCHEM

104615

Created by admin on Tue Apr 01 20:25:10 GMT 2025 , Edited by admin on Tue Apr 01 20:25:10 GMT 2025

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FDA UNII

BU4WU6CS2B

Created by admin on Tue Apr 01 20:25:10 GMT 2025 , Edited by admin on Tue Apr 01 20:25:10 GMT 2025

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