| CAS Number | 1051363-51-9 |
| Catalog Number | AG00J41W |
| Chemical Name | N-(3-methoxybenzyl)-2-butanamine hydrochloride |
| IUPAC Name | N-[(3-methoxyphenyl)methyl]butan-2-amine;hydrochloride |
| InChI | InChI=1S/C12H19NO.ClH/c1-4-10(2)13-9-11-6-5-7-12(8-11)14-3;/h5-8,10,13H,4,9H2,1-3H3;1H |
| InChI Key | AKXVNWOELCUEDW-UHFFFAOYSA-N |
| MDL Number | MFCD07108534 |
| Molecular Formula | C12H20ClNO |
| Molecular Weight | 229.7463 |
| SMILES | N(C(C)CC)CC1C=CC=C(OC)C=1.Cl |
| Synonyms | N-(3-Methoxybenzyl)-2-butanamine hydrochloride,
1051363-51-9,
ZX-CM018247,
MFCD07108534,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.748g/mol |
| Monoisotopic Mass | 229.123g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number