| CAS Number | 1212834-96-2 |
| Catalog Number | AG00HG2K(AGN-PC-0WQZV6) |
| Chemical Name | (S)-3-Amino-3-m-tolyl-propan-1-ol |
| IUPAC Name | (3S)-3-amino-3-(3-methylphenyl)propan-1-ol |
| InChI | InChI=1S/C10H15NO/c1-8-3-2-4-9(7-8)10(11)5-6-12/h2-4,7,10,12H,5-6,11H2,1H3/t10-/m0/s1 |
| InChI Key | QBUYRBXUFMJAEP-JTQLQIEISA-N |
| MDL Number | MFCD09955048 |
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.2322 |
| SMILES | CC1=CC([C@H](CCO)N)=CC=C1 |
| Synonyms | (s)-3-m-tolyl-beta-alaninol,
1212834-96-2,
(s)-3-amino-3-m-tolyl-propan-1-ol,
(S)-beta-3-m-Tolylalaninol,
(S)-3-Amino-3-(m-tolyl)propan-1-ol,
(3s)-3-amino-3-(3-methylphenyl)propan-1-ol,
FCH857533,
MFCD07784150,
ZINC12650640,
AKOS006286896,
AS-38527,
AX8266959,
X-1083,
|
| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.236g/mol |
| Monoisotopic Mass | 165.115g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number