| CAS Number | 1784785-25-6 |
| Catalog Number | AG01C28E |
| Chemical Name | 2-(4-(Aminomethyl)phenyl)acetonitrile |
| IUPAC Name | 2-[4-(aminomethyl)phenyl]acetonitrile |
| InChI | InChI=1S/C9H10N2/c10-6-5-8-1-3-9(7-11)4-2-8/h1-4H,5,7,11H2 |
| InChI Key | VDAACASZHZYJJX-UHFFFAOYSA-N |
| MDL Number | MFCD29762692 |
| Molecular Formula | C9H10N2 |
| Molecular Weight | 146.1891 |
| SMILES | N#CCC1=CC=C(CN)C=C1 |
| Synonyms | 2-[4-(aminomethyl)phenyl]acetonitrile,
1784785-25-6,
SCHEMBL3810558,
VDAACASZHZYJJX-UHFFFAOYSA-N,
(4-Aminomethyl-phenyl)-acetonitrile,
ZINC82631699,
AKOS022807438,
|
| Complexity | 148 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number