| CAS Number | 1177317-23-5 |
| Catalog Number | AG00J100 |
| Chemical Name | 1-Amino-3-(2,4-dimethylphenoxy)-2-propanol hydrochloride |
| IUPAC Name | 1-amino-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride |
| InChI | InChI=1S/C11H17NO2.ClH/c1-8-3-4-11(9(2)5-8)14-7-10(13)6-12;/h3-5,10,13H,6-7,12H2,1-2H3;1H |
| InChI Key | AMDIPAKRTBNSBP-UHFFFAOYSA-N |
| MDL Number | MFCD04444356 |
| Molecular Formula | C11H18ClNO2 |
| Molecular Weight | 231.7191 |
| SMILES | C1(C)=CC(C)=CC=C1OCC(CN)O.Cl |
| Synonyms | 1-Amino-3-(2,4-dimethylphenoxy)-2-propanol hydrochloride,
1177317-23-5,
1-Amino-3-(2,4-dimethylphenoxy)propan-2-ol hydrochloride,
MFCD04444356,
AKOS022295652,
MCULE-3324012124,
L-3594,
F1580-0017,
(2-CHLOROBENZYL)2-PROPYN-1-YLAMINE,
876715-66-1,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.72g/mol |
| Monoisotopic Mass | 231.103g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number