Home Nitriles 1-Butyl-2-methyl-1,3-benzodiazole-5-carbonitrile

1-Butyl-2-methyl-1,3-benzodiazole-5-carbonitrile

CAS No.:
1403483-52-2
Catalog Number:
AG009WZN
Molecular Formula:
C13H15N3
Molecular Weight:
213.2783
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG009WZN
Chemical Name:
1-Butyl-2-methyl-1,3-benzodiazole-5-carbonitrile
CAS Number:
1403483-52-2
Molecular Formula:
C13H15N3
Molecular Weight:
213.2783
MDL Number:
MFCD22549325
IUPAC Name:
1-butyl-2-methylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C13H15N3/c1-3-4-7-16-10(2)15-12-8-11(9-14)5-6-13(12)16/h5-6,8H,3-4,7H2,1-2H3
InChI Key:
CWCIBXJCDXYWKY-UHFFFAOYSA-N
SMILES:
CCCCn1c(C)nc2c1ccc(c2)C#N
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.127g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.284g/mol
Monoisotopic Mass:
213.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties