Home Other Building Blocks (5-phenylfuran-2-yl)methanamine

(5-phenylfuran-2-yl)methanamine

CAS No.:
39170-18-8
Catalog Number:
AG019VYL
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019VYL
Chemical Name:
(5-phenylfuran-2-yl)methanamine
CAS Number:
39170-18-8
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
MDL Number:
MFCD01930232
IUPAC Name:
(5-phenylfuran-2-yl)methanamine
InChI:
InChI=1S/C11H11NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-7H,8,12H2
InChI Key:
HQHHWOJYOUTZHZ-UHFFFAOYSA-N
SMILES:
NCc1ccc(o1)c1ccccc1
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Synthetic inhibitors of cytochrome P-450 2A6: inhibitory activity, difference spectra, mechanism of inhibition, and protein cocrystallization. Journal of medicinal chemistry 20061130
Properties