| CAS Number | 75920-45-5 |
| Catalog Number | AG01AAIO(AGN-PC-0U8P1E) |
| Chemical Name | 2-(4-methylphenyl)propanenitrile |
| IUPAC Name | 2-(4-methylphenyl)propanenitrile |
| InChI | InChI=1S/C10H11N/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6,9H,1-2H3 |
| InChI Key | VELPKXLIEFPYNV-UHFFFAOYSA-N |
| MDL Number | MFCD11036541 |
| Molecular Formula | C10H11N |
| Molecular Weight | 145.2010 |
| SMILES | CC(C1=CC=C(C)C=C1)C#N |
| Synonyms | 2-(4-methylphenyl)propanenitrile,
75920-45-5,
AC1Q1LF0,
SCHEMBL958687,
alpha,4-Dimethylbenzeneacetonitrile,
AKOS008129050,
MCULE-2614812266,
NE45578,
(r,s)-2-(4-methylphenyl)-propionitrile,
EN300-68715,
CID10630646,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.205g/mol |
| Monoisotopic Mass | 145.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number