| CAS Number | 1212827-86-5 |
| Catalog Number | AG00HG2I(AGN-PC-0WQXK5) |
| Chemical Name | (S)-3-(1-AMINO-3-HYDROXY-PROPYL)-PHENOL HCL |
| IUPAC Name | 3-[(1S)-1-amino-3-hydroxypropyl]phenol;hydrochloride |
| InChI | InChI=1S/C9H13NO2.ClH/c10-9(4-5-11)7-2-1-3-8(12)6-7;/h1-3,6,9,11-12H,4-5,10H2;1H/t9-;/m0./s1 |
| InChI Key | NUBYNIGJZVNIBG-FVGYRXGTSA-N |
| MDL Number | MFCD11053647 |
| Molecular Formula | C9H14ClNO2 |
| Molecular Weight | 203.6660 |
| SMILES | OC1=CC=CC([C@@H](N)CCO)=C1.[H]Cl |
| Synonyms | (S)-3-(1-AMINO-3-HYDROXY-PROPYL)-PHENOL HCL,
(S)-3-(1-Amino-3-hydroxy-propyl)-phenol hydrochloride,
1212827-86-5,
(S)-3-(1-Amino-3-hydroxypropyl)phenol hydrochloride,
MFCD11053647,
AS-37901,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.666g/mol |
| Monoisotopic Mass | 203.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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