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Details

Stereochemistry ACHIRAL
Molecular Formula C15H14Cl2N2O
Molecular Weight 309.19
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ACETYL-4,4'-METHYLENEBIS(2-CHLOROANILINE)

SMILES

CC(=O)NC1=CC=C(CC2=CC=C(N)C(Cl)=C2)C=C1Cl

InChI

InChIKey=JCHPXNSTFVJJLN-UHFFFAOYSA-N
InChI=1S/C15H14Cl2N2O/c1-9(20)19-15-5-3-11(8-13(15)17)6-10-2-4-14(18)12(16)7-10/h2-5,7-8H,6,18H2,1H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula C15H14Cl2N2O
Molecular Weight 309.19
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Simultaneous analysis of urinary 4,4'-methylenebis(2-chloroaniline) and N-acetyl 4,4'-methylenebis(2-chloroaniline) using solid-phase extraction and liquid chromatography/tandem mass spectrometry.
2007
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:13:19 GMT 2023
Edited
by admin
on Sat Dec 16 08:13:19 GMT 2023
Record UNII
18Z6K3U0MH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ACETYL-4,4'-METHYLENEBIS(2-CHLOROANILINE)
Systematic Name English
ACETAMIDE, N-(4-((4-AMINO-3-CHLOROPHENYL)METHYL)-2-CHLOROPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
91575-28-9
Created by admin on Sat Dec 16 08:13:19 GMT 2023 , Edited by admin on Sat Dec 16 08:13:19 GMT 2023
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FDA UNII
18Z6K3U0MH
Created by admin on Sat Dec 16 08:13:19 GMT 2023 , Edited by admin on Sat Dec 16 08:13:19 GMT 2023
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EPA CompTox
DTXSID70238636
Created by admin on Sat Dec 16 08:13:19 GMT 2023 , Edited by admin on Sat Dec 16 08:13:19 GMT 2023
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PUBCHEM
56272
Created by admin on Sat Dec 16 08:13:19 GMT 2023 , Edited by admin on Sat Dec 16 08:13:19 GMT 2023
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