3-(2-Ethyl-4-methyl-1-imidazolyl)propanenitrile - CAS 23996-25-0
Catalog: |
BB018281 |
Product Name: |
3-(2-Ethyl-4-methyl-1-imidazolyl)propanenitrile |
CAS: |
23996-25-0 |
Synonyms: |
3-(2-ethyl-4-methyl-1-imidazolyl)propanenitrile; 3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile |
IUPAC Name: | 3-(2-ethyl-4-methylimidazol-1-yl)propanenitrile |
Description: | 3-(2-Ethyl-4-methyl-1-imidazolyl)propanenitrile (CAS# 23996-25-0) is a useful research chemical. |
Molecular Weight: | 163.22 |
Molecular Formula: | C9H13N3 |
Canonical SMILES: | CCC1=NC(=CN1CCC#N)C |
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 |
Boiling Point: | 245-246 °C (lit.) |
Density: | 0.950 g/mL at 25 °C(lit.) |
Appearance: | Light yellow to yellow to orange liquid or low mp solid |
MDL: | MFCD00051492 |
LogP: | 1.66758 |
GHS Hazard Statement: | H301 (34.04%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.110947427 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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