sales@angenesci.com
Login | Register
logo
Structures Search
Home Nitriles 1-Ethyl-2-methyl-1,3-benzodiazole-5-carbonitrile

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

CAS No.:
62306-08-5
Catalog Number:
AG00EFLV
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
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:
AG00EFLV
Chemical Name:
1-Ethyl-2-methyl-1,3-benzodiazole-5-carbonitrile
CAS Number:
62306-08-5
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
MDL Number:
MFCD00085879
IUPAC Name:
1-ethyl-2-methylbenzimidazole-5-carbonitrile
InChI:
InChI=1S/C11H11N3/c1-3-14-8(2)13-10-6-9(7-12)4-5-11(10)14/h4-6H,3H2,1-2H3
InChI Key:
CRSLXELXHYBDGN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc(n2CC)C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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