Home Nitriles 2-Methyl-1-propyl-1,3-benzodiazole-5-carbonitrile

2-Methyl-1-propyl-1,3-benzodiazole-5-carbonitrile

CAS No.:
1403483-82-8
Catalog Number:
AG009X4J
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG009X4J
Chemical Name:
2-Methyl-1-propyl-1,3-benzodiazole-5-carbonitrile
CAS Number:
1403483-82-8
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
MDL Number:
MFCD21467497
IUPAC Name:
2-methyl-1-propylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C12H13N3/c1-3-6-15-9(2)14-11-7-10(8-13)4-5-12(11)15/h4-5,7H,3,6H2,1-2H3
InChI Key:
OBPNOXYFLMARBD-UHFFFAOYSA-N
SMILES:
CCCn1c(C)nc2c1ccc(c2)C#N
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties