| CAS Number | 1048673-55-7 |
| Catalog Number | AG00J42M |
| Chemical Name | 2-[(4-methylbenzyl)amino]-1-butanol hydrochloride |
| IUPAC Name | 2-[(4-methylphenyl)methylamino]butan-1-ol;hydrochloride |
| InChI | InChI=1S/C12H19NO.ClH/c1-3-12(9-14)13-8-11-6-4-10(2)5-7-11;/h4-7,12-14H,3,8-9H2,1-2H3;1H |
| InChI Key | WRXYTTWSTTUOLD-UHFFFAOYSA-N |
| MDL Number | MFCD07106219 |
| Molecular Formula | C12H20ClNO |
| Molecular Weight | 229.7463 |
| SMILES | N(C(CC)CO)CC1=CC=C(C)C=C1.Cl |
| Synonyms | 2-[(4-Methylbenzyl)amino]-1-butanol hydrochloride,
1048673-55-7,
ZX-CM018229,
MFCD07106219,
869942-69-8,
|
| Complexity | 141 |
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.748g/mol |
| Monoisotopic Mass | 229.123g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number