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Home Other Building Blocks N-[3-(1H-1,3-benzodiazol-2-yl)propyl]butanamide

N-[3-(1H-1,3-benzodiazol-2-yl)propyl]butanamide

CAS No.:
686736-45-8
Catalog Number:
AG019MXP
Molecular Formula:
C14H19N3O
Molecular Weight:
245.3202
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Product Description
Catalog Number:
AG019MXP
Chemical Name:
N-[3-(1H-1,3-benzodiazol-2-yl)propyl]butanamide
CAS Number:
686736-45-8
Molecular Formula:
C14H19N3O
Molecular Weight:
245.3202
MDL Number:
MFCD04459338
IUPAC Name:
N-[3-(1H-benzimidazol-2-yl)propyl]butanamide
InChI:
InChI=1S/C14H19N3O/c1-2-6-14(18)15-10-5-9-13-16-11-7-3-4-8-12(11)17-13/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,15,18)(H,16,17)
InChI Key:
XWSXQEPMLHHNST-UHFFFAOYSA-N
SMILES:
CCCC(=O)NCCCc1nc2c([nH]1)cccc2
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.153g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
245.326g/mol
Monoisotopic Mass:
245.153g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
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