Home Nitriles 2-[(furan-2-ylmethyl)amino]-2-methylpropanenitrile

2-[(furan-2-ylmethyl)amino]-2-methylpropanenitrile

CAS No.:
743444-74-8
Catalog Number:
AG019J68
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019J68
Chemical Name:
2-[(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CAS Number:
743444-74-8
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD05263183
IUPAC Name:
2-(furan-2-ylmethylamino)-2-methylpropanenitrile
InChI:
InChI=1S/C9H12N2O/c1-9(2,7-10)11-6-8-4-3-5-12-8/h3-5,11H,6H2,1-2H3
InChI Key:
IRXMMSNGPVZGDR-UHFFFAOYSA-N
SMILES:
N#CC(NCc1ccco1)(C)C
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties