CAS 5763-61-1 | (3,4-Dimethoxyphenyl)methanamine | CAS Number 5763-61-1

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5763-61-1 | (3,4-Dimethoxyphenyl)methanamine

CAS No: 5763-61-1 Catalog No: AG003VAR MDL No:MFCD00008116

Product Description

Catalog Number:

AG003VAR

Chemical Name:

(3,4-Dimethoxyphenyl)methanamine

CAS Number:

5763-61-1

Molecular Formula:

C9H13NO2

Molecular Weight:

167.2050

MDL Number:

MFCD00008116

IUPAC Name:

(3,4-dimethoxyphenyl)methanamine

InChI:

InChI=1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3

InChI Key:

DIVNUTGTTIRPQA-UHFFFAOYSA-N

SMILES:

COc1cc(CN)ccc1OC

EC Number:

227-287-7

NSC Number:

271740

Properties

Complexity:

130

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

167.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

167.208g/mol

Monoisotopic Mass:

167.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Resistance-modifying agents. 11.(1) Pyrimido[5,4-d]pyrimidine modulators of antitumor drug activity. Synthesis and structure-activity relationships for nucleoside transport inhibition and binding to alpha1-acid glycoprotein.	Journal of medicinal chemistry 20040923