CAS 17511-89-6 | Cyclopentanemethanamine, 1-phenyl- | CAS Number 17511-89-6

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17511-89-6 | Cyclopentanemethanamine, 1-phenyl-

CAS No: 17511-89-6 Catalog No: AG00205K MDL No:MFCD00995874

Product Description

Catalog Number:

AG00205K

Chemical Name:

Cyclopentanemethanamine, 1-phenyl-

CAS Number:

17511-89-6

Molecular Formula:

C12H17N

Molecular Weight:

175.2701

MDL Number:

MFCD00995874

IUPAC Name:

(1-phenylcyclopentyl)methanamine

InChI:

InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2

InChI Key:

SJWOFBVBNFLWLP-UHFFFAOYSA-N

SMILES:

NCC1(CCCC1)c1ccccc1

Properties

Complexity:

153

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.275g/mol

Monoisotopic Mass:

175.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.	Bioorganic & medicinal chemistry letters 20060315