| CAS Number | 35086-95-4 |
| Catalog Number | AG019T4A(AGN-PC-0RAGLB) |
| Chemical Name | 2-Amino-1-(4-chlorophenyl)propan-1-ol hydrochloride |
| IUPAC Name | 2-amino-1-(4-chlorophenyl)propan-1-ol;hydrochloride |
| InChI | InChI=1S/C9H12ClNO.ClH/c1-6(11)9(12)7-2-4-8(10)5-3-7;/h2-6,9,12H,11H2,1H3;1H |
| InChI Key | WORYXNVAGWFRGZ-UHFFFAOYSA-N |
| MDL Number | MFCD09028116 |
| Molecular Formula | C9H13Cl2NO |
| Molecular Weight | 222.1116 |
| SMILES | CC(N)C(C1=CC=C(Cl)C=C1)O.[H]Cl |
| Synonyms | 2-amino-1-(4-chlorophenyl)propan-1-ol hydrochloride,
35086-95-4,
908E211,
alpha-(1-Aminoethyl)-4-chloro-benzenemethanol HCl,
C9H12ClNO,
2-Amino-1- propan-1-ol,
2-amino-1-(4-chlorophenyl)propan-1-ol,
57908-21-1,
23933-83-7,
Erythro-2-amino-1-(4-chlorophenyl)propan-1-ol HCl,
Erythro-2-amino-1-(4-chlorophenyl)propan-1-ol hydrochloride,
CE-022,
AKOS015962223,
MCULE-5825687788,
NE46501,
BC210023,
EN300-96200,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.109g/mol |
| Monoisotopic Mass | 221.037g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number