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Home > Imidazoles > 114772-25-7
114772-25-7 | 1H-Imidazole-4,5-dicarbonitrile, 2-butyl-
CAS No: 114772-25-7 Catalog No: AG000F74 MDL No:MFCD06496121
Product Description
Catalog Number:
AG000F74
Chemical Name:
1H-Imidazole-4,5-dicarbonitrile, 2-butyl-
CAS Number:
114772-25-7
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
MDL Number:
MFCD06496121
IUPAC Name:
2-butyl-1H-imidazole-4,5-dicarbonitrile
InChI:
InChI=1S/C9H10N4/c1-2-3-4-9-12-7(5-10)8(6-11)13-9/h2-4H2,1H3,(H,12,13)
InChI Key:
OUWKJJQNRUVCPN-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c([nH]1)C#N)C#N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.091g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.207g/mol
Monoisotopic Mass:
174.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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