Home Imidazoles 23996-25-0
23996-25-0,MFCD00051492
Catalog No.:AA003HXW
23996-25-0 | 2-Ethyl-4-methyl-1h-imidazole-1-propanenitrile
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25g
>70.0%(GC)
1 week  
$42.00   $29.00
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250g
≥ 95% (GC)
1 week  
$311.00   $218.00
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Technical Information
Catalog Number:
AA003HXW
Chemical Name:
2-Ethyl-4-methyl-1h-imidazole-1-propanenitrile
CAS Number:
23996-25-0
Molecular Formula:
C9H13N3
Molecular Weight:
163.2196
MDL Number:
MFCD00051492
IUPAC Name:
3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile
InChI:
InChI=1S/C9H13N3/c1-3-9-11-8(2)7-12(9)6-4-5-10/h7H,3-4,6H2,1-2H3
InChI Key:
UIDDPPKZYZTEGS-UHFFFAOYSA-N
SMILES:
N#CCCn1cc(nc1CC)C
EC Number:
245-975-5
Properties
Computed Properties
 
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.111g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.224g/mol
Monoisotopic Mass:
163.111g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
23996-25-0 
2-Ethyl-4-methyl-1H-imidazole-1-propanenitrile 
AC1L3JR0 
AC1Q4SC2 
SCHEMBL138437 
Jsp004795 
DTXSID6066949 
CTK3J6558 
KS-00000VUY 
UIDDPPKZYZTEGS-UHFFFAOYSA-N 
ANW-25284 
MFCD00051492 
3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile 
ZINC12957943 
AKOS015960592 
TRA-0184670 
AC-11835 
AJ-63304 
AK-87184 
AN-18072 
DB-046314 
RT-003087 
4CH-021503 
1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole 
FT-0638376 
ST24041399 
A-7293 
3-(2-Ethyl-4-methyl-1-imidazolyl)propionitrile 
3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile 
3-(2-ethyl-4-methyl-imidazol-1-yl)propanenitrile 
2-Ethyl-4-methyl-1H-imidazole-1-propanenitrile, 85% 
3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile # 
1-(2-Cyanoethyl)-2-ethyl-4-methylimidazole (contains 5-methyl isomer) 
3-(2-Ethyl-4-methyl-1-imidazolyl)propionitrile (contains 5-methyl isomer) 
1-Cyanoethyl-2-ethyl-4-methylimidazole 
C9H13N3 
KST-1B5745 
CID90327 
AR-1B0728 
C9-H13-N3 
1-CYANOETHYL-2-PHENYLIMIDAZOLE 
1-Cyano ethyl-2-Ethyl-4-methylimidazole 
C1486 
57147-05-4 
1H-Imidazole-1-propanenitrile, 2-ethyl-4-methyl- 
2-Ethyl-4-methyl-1H-imidazole-1-propiononitrile 
3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile;3-(2-Ethyl-4-methyl-1H-imidazol-1-yl)propanenitrile 
EINECS 245-975-5 
1-Cyanomethyl-2-ethyl-4-methylimidazole 
Literature
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