| CAS Number | 1311318-27-0 |
| Catalog Number | AG01AIW1 |
| Chemical Name | 2-[(2,2-dimethylpropyl)amino]-1-phenylethan-1-ol hydrochloride |
| IUPAC Name | 2-(2,2-dimethylpropylamino)-1-phenylethanol;hydrochloride |
| InChI | InChI=1S/C13H21NO.ClH/c1-13(2,3)10-14-9-12(15)11-7-5-4-6-8-11;/h4-8,12,14-15H,9-10H2,1-3H3;1H |
| InChI Key | MTMWJWXZLYESFT-UHFFFAOYSA-N |
| MDL Number | MFCD18917412 |
| Molecular Formula | C13H22ClNO |
| Molecular Weight | 243.7729 |
| SMILES | Cl.CC(CNCC(C1=CC=CC=C1)O)(C)C |
| Synonyms | 2-[(2,2-dimethylpropyl)amino]-1-phenylethan-1-ol hydrochloride,
1311318-27-0,
SCHEMBL15286041,
MTMWJWXZLYESFT-UHFFFAOYSA-N,
MCULE-4966444874,
NE54754,
EN300-79182,
Z1268152315,
2-[(2,2-dimethylpropyl)amino]-1-phenylethanol hydrochloride,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.775g/mol |
| Monoisotopic Mass | 243.139g/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