| CAS Number | 41870-80-8 |
| Catalog Number | AG00CODV |
| Chemical Name | 2-Amino-1-(4-tert-butylphenyl)ethan-1-ol |
| IUPAC Name | 2-amino-1-(4-tert-butylphenyl)ethanol |
| InChI | InChI=1S/C12H19NO/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7,11,14H,8,13H2,1-3H3 |
| InChI Key | NVKUZDMGMJAVBL-UHFFFAOYSA-N |
| MDL Number | MFCD09901423 |
| Molecular Formula | C12H19NO |
| Molecular Weight | 193.2854 |
| SMILES | CC(C1=CC=C(C(CN)O)C=C1)(C)C |
| Synonyms | 2-amino-1-(4-tert-butylphenyl)ethan-1-ol,
41870-80-8,
2-amino-1-(4-tert-butylphenyl)ethanol,
(1R)-2-Amino-1-(4-tert-butylphenyl)ethan-1-ol,
1568036-89-4,
MFCD09901423,
AKOS008110474,
MCULE-9858638746,
NE19448,
EN300-79324,
J3.526.299G,
(S)-2-Amino-1-(4-(tert-butyl)phenyl)ethanol,
1567878-82-3,
2-Amino-1-(4-tert-butylphenyl)ethanol HCl,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.29g/mol |
| Monoisotopic Mass | 193.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number