| CAS Number | 1213827-47-4 |
| Catalog Number | AG009ZFE(AGN-PC-0WNNU3) |
| Chemical Name | (3R)-3-Amino-3-(3-bromophenyl)propan-1-ol |
| IUPAC Name | (3R)-3-amino-3-(3-bromophenyl)propan-1-ol |
| InChI | InChI=1S/C9H12BrNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m1/s1 |
| InChI Key | ITAZYIGUHYEVEU-SECBINFHSA-N |
| MDL Number | MFCD07784054 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | OCC[C@@H](N)C1=CC=CC(Br)=C1 |
| Synonyms | 1213827-47-4,
(r)-3-amino-3-(3-bromophenyl)propan-1-ol,
(3r)-3-amino-3-(3-bromophenyl)propan-1-ol,
(R)-3-Amino-3-(3-bromo-phenyl)-propan-1-ol,
(r)-3-(3-bromophenyl)-beta-alaninol,
(R)--(3-Bromophenyl)alaninol,
SCHEMBL16397248,
(R)- -(3-Bromophenyl)alaninol,
DTXSID40649634,
ITAZYIGUHYEVEU-SECBINFHSA-N,
(r)-beta-(3-bromophenyl)alaninol,
MFCD07784054,
ZINC12648874,
AS-36842,
X-1071,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number