| CAS Number | 1213016-49-9 |
| Catalog Number | AG009Z9S(AGN-PC-0WALYX) |
| Chemical Name | (S)-b-AMino-3-Methoxy-benzeneethanol |
| IUPAC Name | (2S)-2-amino-2-(3-methoxyphenyl)ethanol |
| InChI | InChI=1S/C9H13NO2/c1-12-8-4-2-3-7(5-8)9(10)6-11/h2-5,9,11H,6,10H2,1H3/t9-/m1/s1 |
| InChI Key | HAHLSZOSVFWLMM-SECBINFHSA-N |
| MDL Number | MFCD09253686 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | OC[C@@H](N)C1=CC=CC(OC)=C1 |
| Synonyms | 1213016-49-9,
(S)-2-Amino-2-(3-methoxyphenyl)ethanol,
(2S)-2-amino-2-(3-methoxyphenyl)ethan-1-ol,
(2S)-2-amino-2-(3-methoxyphenyl)ethan-1-ol hydrochloride,
AK486777,
SCHEMBL8514631,
FCH866274,
MFCD09253686,
ZINC36949535,
AKOS006332327,
AKOS015927846,
AJ-93556,
AS-49825,
AX8297269,
(S)-2-amino-2-(3-methoxyphenyl)ethan-1-ol,
(2S)?-?2-?amino-?2-?(3-?methoxyphenyl)?ethanol,
(S)-b-Amino-3-methoxy-benzeneethanol,
(2S)-2-AMINO-2-(3-METHOXYPHENYL)ETHAN-1-OL HCl,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number