CAS 261951-67-1 | Benzenemethanamine, 3-fluoro-4-methyl- | CAS Number 261951-67-1

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261951-67-1 | Benzenemethanamine, 3-fluoro-4-methyl-

CAS No: 261951-67-1 Catalog No: AG002S6U MDL No:MFCD01631531

Product Description

Catalog Number:

AG002S6U

Chemical Name:

Benzenemethanamine, 3-fluoro-4-methyl-

CAS Number:

261951-67-1

Molecular Formula:

C8H10FN

Molecular Weight:

139.1701

MDL Number:

MFCD01631531

IUPAC Name:

(3-fluoro-4-methylphenyl)methanamine

InChI:

InChI=1S/C8H10FN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3

InChI Key:

XCAJNBJDLZPHNB-UHFFFAOYSA-N

SMILES:

NCc1ccc(c(c1)F)C

Properties

Complexity:

105

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

139.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

139.173g/mol

Monoisotopic Mass:

139.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking.	Journal of medicinal chemistry 20061019