Home Nitriles 3-(1H-Benzimidazol-1-yl)propanenitrile

3-(1H-Benzimidazol-1-yl)propanenitrile

CAS No.:
4414-84-0
Catalog Number:
AG00DWK4
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
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Product Description
Catalog Number:
AG00DWK4
Chemical Name:
3-(1H-Benzimidazol-1-yl)propanenitrile
CAS Number:
4414-84-0
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
MDL Number:
MFCD00817166
IUPAC Name:
3-(benzimidazol-1-yl)propanenitrile
InChI:
InChI=1S/C10H9N3/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h1-2,4-5,8H,3,7H2
InChI Key:
HCNGGCURDWJVBE-UHFFFAOYSA-N
SMILES:
N#CCCn1cnc2c1cccc2
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
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
Properties