Home Nitriles 3-(3-Pyridylmethylamino)propionitrile

3-(3-Pyridylmethylamino)propionitrile

CAS No.:
33611-48-2
Catalog Number:
AG00BYTV
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$424
- +
5g
1 week
United States
$1675
- +
10g
1 week
United States
$2494
- +
25g
1 week
United States
$4027
- +
Product Description
Catalog Number:
AG00BYTV
Chemical Name:
3-(3-Pyridylmethylamino)propionitrile
CAS Number:
33611-48-2
Molecular Formula:
C9H11N3
Molecular Weight:
161.2037
MDL Number:
MFCD00047455
IUPAC Name:
3-(pyridin-3-ylmethylamino)propanenitrile
InChI:
InChI=1S/C9H11N3/c10-4-2-6-12-8-9-3-1-5-11-7-9/h1,3,5,7,12H,2,6,8H2
InChI Key:
QLXCYILNQJKHLM-UHFFFAOYSA-N
SMILES:
N#CCCNCc1cccnc1
EC Number:
251-596-6
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.095g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.208g/mol
Monoisotopic Mass:
161.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
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