| CAS Number | 1159826-34-2 |
| Catalog Number | AG00HD6F(AGN-PC-0WH635) |
| Chemical Name | O-CYANOPHENYLETHYLAMINE HCL |
| IUPAC Name | 2-(2-aminoethyl)benzonitrile;hydrochloride |
| InChI | InChI=1S/C9H10N2.ClH/c10-6-5-8-3-1-2-4-9(8)7-11;/h1-4H,5-6,10H2;1H |
| InChI Key | XPMRMTGJRGZREY-UHFFFAOYSA-N |
| MDL Number | MFCD09878804 |
| Molecular Formula | C9H11ClN2 |
| Molecular Weight | 182.6500 |
| SMILES | Cl.NCCC1=C(C#N)C=CC=C1 |
| Synonyms | 1159826-34-2,
o-cyanophenylethylamine HCl,
2-Cyanophenylethylamine hydrochloride,
2-(2-Aminoethyl)benzonitrile hydrochloride,
MFCD09878804,
AKOS006310785,
AS-37478,
AX8266787,
2-(2-Amino-ethyl)-benzonitrile hydrochloride,
X-2929,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.651g/mol |
| Monoisotopic Mass | 182.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number