CAS 147724-24-1 | Benzenemethanamine, N-cyclopentyl-3-methoxy- | CAS Number 147724-24-1

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147724-24-1 | Benzenemethanamine, N-cyclopentyl-3-methoxy-

CAS No: 147724-24-1 Catalog No: AG001F65 MDL No:MFCD01469543

Product Description

Catalog Number:

AG001F65

Chemical Name:

Benzenemethanamine, N-cyclopentyl-3-methoxy-

CAS Number:

147724-24-1

Molecular Formula:

C13H19NO

Molecular Weight:

205.2961

MDL Number:

MFCD01469543

IUPAC Name:

N-[(3-methoxyphenyl)methyl]cyclopentanamine

InChI:

InChI=1S/C13H19NO/c1-15-13-8-4-5-11(9-13)10-14-12-6-2-3-7-12/h4-5,8-9,12,14H,2-3,6-7,10H2,1H3

InChI Key:

LGUBODKVEXFVAU-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)CNC1CCCC1

Properties

Complexity:

177

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

205.147g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

205.301g/mol

Monoisotopic Mass:

205.147g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

21.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
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