| CAS Number | 935250-88-7 |
| Catalog Number | AG00J3ZL |
| Chemical Name | N-(3-methoxybenzyl)-1-butanamine hydrochloride |
| IUPAC Name | N-[(3-methoxyphenyl)methyl]butan-1-amine;hydrochloride |
| InChI | InChI=1S/C12H19NO.ClH/c1-3-4-8-13-10-11-6-5-7-12(9-11)14-2;/h5-7,9,13H,3-4,8,10H2,1-2H3;1H |
| InChI Key | HTLBGQKBORXPBE-UHFFFAOYSA-N |
| MDL Number | MFCD07108185 |
| Molecular Formula | C12H20ClNO |
| Molecular Weight | 229.7463 |
| SMILES | C1=C(C=CC=C1OC)CNCCCC.Cl |
| Synonyms | N-(3-Methoxybenzyl)-1-butanamine hydrochloride,
935250-88-7,
ZX-CM017982,
MFCD07108185,
|
| Complexity | 138 |
| 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 | 6 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number