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84859-03-0 | N-(1H-BENZOIMIDAZOL-2-YL)-1-ETHYL-PYRROLIDIN-2-IMINE
CAS No: 84859-03-0 Catalog No: AG008G1K MDL No:
Product Description
Catalog Number:
AG008G1K
Chemical Name:
N-(1H-BENZOIMIDAZOL-2-YL)-1-ETHYL-PYRROLIDIN-2-IMINE
CAS Number:
84859-03-0
Molecular Formula:
C13H16N4
Molecular Weight:
228.2929
IUPAC Name:
N-(1H-benzimidazol-2-yl)-1-ethylpyrrolidin-2-imine
InChI:
InChI=1S/C13H16N4/c1-2-17-9-5-8-12(17)16-13-14-10-6-3-4-7-11(10)15-13/h3-4,6-7H,2,5,8-9H2,1H3,(H,14,15)
InChI Key:
WQNAZHNLADXFBU-UHFFFAOYSA-N
SMILES:
CCN1CCCC1=Nc1nc2c([nH]1)cccc2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.137g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.299g/mol
Monoisotopic Mass:
228.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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