| CAS Number | 154312-75-1 |
| Catalog Number | AG00J2EE(AGN-PC-0WO157) |
| Chemical Name | (1-methyl-1H-imidazol-5-yl)acetonitrile hydrochloride |
| IUPAC Name | 2-(3-methylimidazol-4-yl)acetonitrile;hydrochloride |
| InChI | InChI=1S/C6H7N3.ClH/c1-9-5-8-4-6(9)2-3-7;/h4-5H,2H2,1H3;1H |
| InChI Key | ACVJRUOQZWZKAV-UHFFFAOYSA-N |
| MDL Number | MFCD22666516 |
| Molecular Formula | C6H8ClN3 |
| Molecular Weight | 157.6008 |
| SMILES | N1(C)C=NC=C1CC#N.Cl |
| Synonyms | (1-Methyl-1H-imidazol-5-yl)acetonitrile hydrochloride,
154312-75-1,
2-(1-methyl-1H-imidazol-5-yl)acetonitrile hydrochloride,
SCHEMBL16369898,
MFCD22666516,
AKOS026726432,
NE35718,
(1-Methyl-1H-imidazol-5-yl)acetonitrile hydrochloride, AldrichCPR,
41065-01-4,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.601g/mol |
| Monoisotopic Mass | 157.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number