| CAS Number | 102879-25-4 |
| Catalog Number | AG00IWHI(AGN-PC-0ORXYO) |
| Chemical Name | 1-Phenylprop-2-en-1-amine hydrochloride |
| IUPAC Name | 1-phenylprop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C9H11N.ClH/c1-2-9(10)8-6-4-3-5-7-8;/h2-7,9H,1,10H2;1H |
| InChI Key | SMLXICHDYHVTSX-UHFFFAOYSA-N |
| MDL Number | MFCD16658577 |
| Molecular Formula | C9H12ClN |
| Molecular Weight | 169.6513 |
| SMILES | Cl.C1(=CC=CC=C1)C(C=C)N |
| Synonyms | 1-phenylprop-2-en-1-amine hydrochloride,
102879-25-4,
(R)-1-Phenylprop-2-en-1-amine hydrochloride,
1181394-16-0,
AKOS024255666,
KS-0000245S,
(VINYLBENZYL) AMINE HYDROCHLORIDE,
SC-32934,
CS-4112,
84092-72-8,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.652g/mol |
| Monoisotopic Mass | 169.066g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number