Home Imidazoles 89128-08-5
89128-08-5,MFCD00134458
Catalog No.:AA003HYB
89128-08-5 | 3-(2-Methyl-4-nitro-1h-imidazol-1-yl)propionitrile
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1g
97%
2 weeks  
$118.00   $83.00
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5g
97%
2 weeks  
$236.00   $165.00
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Technical Information
Catalog Number:
AA003HYB
Chemical Name:
3-(2-Methyl-4-nitro-1h-imidazol-1-yl)propionitrile
CAS Number:
89128-08-5
Molecular Formula:
C7H8N4O2
Molecular Weight:
180.1640
MDL Number:
MFCD00134458
IUPAC Name:
3-(2-methyl-4-nitroimidazol-1-yl)propanenitrile
InChI:
InChI=1S/C7H8N4O2/c1-6-9-7(11(12)13)5-10(6)4-2-3-8/h5H,2,4H2,1H3
InChI Key:
DXHSGLFIHQQUIN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(c(n1)C)CCC#N
NSC Number:
265259
Properties
Computed Properties
 
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.065g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.167g/mol
Monoisotopic Mass:
180.065g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  

Synonyms
 
89128-08-5 
3-(2-methyl-4-nitro-1H-imidazol-1-yl)propanenitrile 
3-(2-methyl-4-nitroimidazolyl)propanenitrile 
NSC265259 
Oprea1_029316 
AC1L80U3 
cid_319755 
SCHEMBL8407037 
CHEMBL1529193 
BDBM46531 
CTK8E4161 
DTXSID10312964 
3-(2-METHYL-4-NITRO-1H-IMIDAZOL-1-YL)PROPIONITRILE 
HMS2809O22 
2226AF 
FCH919488 
SBB067140 
ZINC15858172 
AKOS005255605 
MCULE-7770054193 
NSC-265259 
VZ25943 
CC-12303 
3-(2-METHYL-4-NITROIMIDAZOL-1-YL)PROPIONITRILE 
2-methyl-4-nitro-1-imidazolepropionitrile 
DB-021596 
TR-028013 
1-(2-Cyanoethyl)-2-methyl-4-nitroimidazole 
FT-0642113 
ST50407459 
C-5671 
1-(2-Cyanoethyl)-2-methyl-4-nitro-1H-imidazole 
1H-imidazole-1-propanenitrile, 2-methyl-4-nitro- 
3-(2-methyl-4-nitro-imidazol-1-yl)propionitrile 
MLS000851087 
A843072 
C-06657 
3-(2-methyl-4-nitro-1h-imidazol-1-yl)propanitrile 
I14-1480 
InChI=1/C7H8N4O2/c1-6-9-7(11(12)13)5-10(6)4-2-3-8/h5H,2,4H2,1H 
3- PROPIONITRILE 
C7H8N4O2 
CID319755 
2-methyl-4-nitro-1H-Imidazole-1-propanenitrile 
3-(2-methyl-4-nitroimidazol-1-yl)propanenitrile 
MFCD00134458 
SMR000457330 
3-(2-methyl-4-nitro-1-imidazolyl)propanenitrile 
3-(2-methyl-4-nitro-imidazol-1-yl)propanenitrile 
Literature
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