| CAS Number | 1049773-85-4 |
| Catalog Number | AG00J3ZK |
| Chemical Name | N-(2-methylbenzyl)-1-propanamine hydrochloride |
| IUPAC Name | N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride |
| InChI | InChI=1S/C11H17N.ClH/c1-3-8-12-9-11-7-5-4-6-10(11)2;/h4-7,12H,3,8-9H2,1-2H3;1H |
| InChI Key | DVVFPURPNWAKND-UHFFFAOYSA-N |
| MDL Number | MFCD07110215 |
| Molecular Formula | C11H18ClN |
| Molecular Weight | 199.7203 |
| SMILES | C1(=CC=CC=C1C)CNCCC.Cl |
| Synonyms | N-(2-Methylbenzyl)-1-propanamine hydrochloride,
1049773-85-4,
ZX-CM018018,
MFCD07110215,
|
| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.113g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.722g/mol |
| Monoisotopic Mass | 199.113g/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