CAS 932-96-7 | 4-Chloro-N-methylaniline | CAS Number 932-96-7

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932-96-7 | 4-Chloro-N-methylaniline

CAS No: 932-96-7 Catalog No: AG003L7L MDL No:MFCD00000614

Product Description

Catalog Number:

AG003L7L

Chemical Name:

4-Chloro-N-methylaniline

CAS Number:

932-96-7

Molecular Formula:

C7H8ClN

Molecular Weight:

141.5981

MDL Number:

MFCD00000614

IUPAC Name:

4-chloro-N-methylaniline

InChI:

InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3

InChI Key:

XCEYKKJMLOFDSS-UHFFFAOYSA-N

SMILES:

CNc1ccc(cc1)Cl

EC Number:

213-262-8

UNII:

2IXY9JA2P8

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

141.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

141.598g/mol

Monoisotopic Mass:

141.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

12A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

Title	Journal
4-Chloro-N-methyl-2-(1,2,3,4-tetra-hydro-isoquinolin-1-yl)aniline.	Acta crystallographica. Section E, Structure reports online 20101201
FT-IR, FT-Raman, NMR spectra and DFT calculations on 4-chloro-N-methylaniline.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100501
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601
Influence of the linker in bispyridium compounds on the inhibition of human choline kinase.	Journal of medicinal chemistry 20041021