| CAS Number | 16750-41-7 |
| Catalog Number | AG01A6Q3 |
| Chemical Name | 3-Amino-3-phenylpropanenitrile |
| IUPAC Name | 3-amino-3-phenylpropanenitrile |
| InChI | InChI=1S/C9H10N2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9H,6,11H2 |
| InChI Key | YHBWEFKGUHZLOA-UHFFFAOYSA-N |
| MDL Number | MFCD17226386 |
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.1891 |
| SMILES | NC(C1=CC=CC=C1)CC#N |
| Synonyms | 3-amino-3-phenylpropanenitrile,
16750-41-7,
1240591-16-5,
SCHEMBL1557313,
AKOS006224164,
MCULE-3630790057,
NE53225,
(3R)-3-amino-3-phenylpropanenitrile,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.193g/mol |
| Monoisotopic Mass | 146.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number