CAS 102-50-1 | Benzenamine, 4-methoxy-2-methyl- | CAS Number 102-50-1

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102-50-1 | Benzenamine, 4-methoxy-2-methyl-

CAS No: 102-50-1 Catalog No: AG00068L MDL No:MFCD00007735

Product Description

Catalog Number:

AG00068L

Chemical Name:

Benzenamine, 4-methoxy-2-methyl-

CAS Number:

102-50-1

Molecular Formula:

C8H11NO

Molecular Weight:

137.1790

MDL Number:

MFCD00007735

IUPAC Name:

4-methoxy-2-methylaniline

InChI:

InChI=1S/C8H11NO/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3

InChI Key:

CDGNLUSBENXDGG-UHFFFAOYSA-N

SMILES:

COc1ccc(c(c1)C)N

EC Number:

203-036-7

UNII:

F0E8Y56GUK

NSC Number:

66563

UN Number:

2810

Properties

Complexity:

105

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

137.084g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

137.182g/mol

Monoisotopic Mass:

137.084g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

35.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
2-(4-Meth-oxy-2-methyl-anilino)-1,2-diphenyl-ethanone.	Acta crystallographica. Section E, Structure reports online 20110601
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601