| CAS Number | 88784-91-2 |
| Catalog Number | AG00IFGY(AGN-PC-0VNXKO) |
| Chemical Name | Benzeneethanol, b-amino-a-methyl-, hydrochloride, (aS,bR)- |
| IUPAC Name | (1R,2S)-1-amino-1-phenylpropan-2-ol;hydrochloride |
| InChI | InChI=1S/C9H13NO.ClH/c1-7(11)9(10)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9-;/m0./s1 |
| InChI Key | VIOJYFJDMKDXOT-KUSKTZOESA-N |
| MDL Number | MFCD16037986 |
| Molecular Formula | C9H14ClNO |
| Molecular Weight | 187.6666 |
| SMILES | C[C@H](O)[C@H](N)C1=CC=CC=C1.[H]Cl |
| Synonyms | 88784-91-2,
(1R,2S)-1-amino-1-phenylpropan-2-ol hydrochloride,
SCHEMBL3589482,
VIOJYFJDMKDXOT-KUSKTZOESA-N,
KS-00000U3T,
MFCD16037986,
AKOS030632972,
DS-19803,
(1R,2S)-1-Amino-1-phenylpropan-2-ol HCl,
Benzeneethanol, b-amino-a-methyl-, hydrochloride, (aS,bR)-,
UNII-54PO8S78PQ component VIOJYFJDMKDXOT-KUSKTZOESA-N,
(2S,1R)-1-AMINO-1-PHENYLPROPAN-2-OL HCl,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.667g/mol |
| Monoisotopic Mass | 187.076g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number