| CAS Number | 160676-83-5 |
| Catalog Number | AG00J3YR |
| Chemical Name | N-(4-methylbenzyl)-2-propen-1-amine hydrochloride |
| IUPAC Name | N-[(4-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride |
| InChI | InChI=1S/C11H15N.ClH/c1-3-8-12-9-11-6-4-10(2)5-7-11;/h3-7,12H,1,8-9H2,2H3;1H |
| InChI Key | XLHPRNZWUFUVED-UHFFFAOYSA-N |
| MDL Number | MFCD07107802 |
| Molecular Formula | C11H16ClN |
| Molecular Weight | 197.7044 |
| SMILES | C(CNCC1=CC=C(C)C=C1)=C.Cl |
| Synonyms | N-(4-Methylbenzyl)-2-propen-1-amine hydrochloride,
160676-83-5,
ZX-CM017955,
MFCD07107802,
MCULE-8547524067,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.706g/mol |
| Monoisotopic Mass | 197.097g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number