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133929-18-7 | N-(1H-Benzoimidazol-2-yl)-benzene-1,4-diamine
CAS No: 133929-18-7 Catalog No: AG01FAAO MDL No:
Product Description
Catalog Number:
AG01FAAO
Chemical Name:
N-(1H-Benzoimidazol-2-yl)-benzene-1,4-diamine
CAS Number:
133929-18-7
Molecular Formula:
C13H12N4
Molecular Weight:
224.2612
IUPAC Name:
4-N-(1H-benzimidazol-2-yl)benzene-1,4-diamine
InChI:
InChI=1S/C13H12N4/c14-9-5-7-10(8-6-9)15-13-16-11-3-1-2-4-12(11)17-13/h1-8H,14H2,(H2,15,16,17)
InChI Key:
QTKVVJXYEASQLY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Nc1nc2c([nH]1)cccc2
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
224.267g/mol
Monoisotopic Mass:
224.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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 |
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