| CAS Number | 132539-60-7 |
| Catalog Number | AG019NB5 |
| Chemical Name | 2-Amino-2-methyl-4-phenylbutanenitrile hydrochloride |
| IUPAC Name | 2-amino-2-methyl-4-phenylbutanenitrile;hydrochloride |
| InChI | InChI=1S/C11H14N2.ClH/c1-11(13,9-12)8-7-10-5-3-2-4-6-10;/h2-6H,7-8,13H2,1H3;1H |
| InChI Key | RFTZBJTXIIILJM-UHFFFAOYSA-N |
| MDL Number | MFCD11505529 |
| Molecular Formula | C11H15ClN2 |
| Molecular Weight | 210.7032 |
| SMILES | Cl.CC(C#N)(CCC1=CC=CC=C1)N |
| Synonyms | 2-amino-2-methyl-4-phenylbutanenitrile hydrochloride,
EN300-39881,
132539-60-7,
AC1Q396N,
CTK7C5426,
MCULE-4466214423,
NE22097,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.705g/mol |
| Monoisotopic Mass | 210.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number