| CAS Number | 1213362-28-7 |
| Catalog Number | AG009B8Q(AGN-PC-0WCXWP) |
| Chemical Name | (R)-3-(4-Chlorophenyl)-beta-alaninol |
| IUPAC Name | (3R)-3-amino-3-(4-chlorophenyl)propan-1-ol |
| InChI | InChI=1S/C9H12ClNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1 |
| InChI Key | JGNACDMQJLVKIU-SECBINFHSA-N |
| MDL Number | MFCD07784070 |
| Molecular Formula | C9H12ClNO |
| Molecular Weight | 185.6507 |
| SMILES | OCC[C@@H](N)C1=CC=C(Cl)C=C1 |
| Synonyms | 1213362-28-7,
(r)-3-(4-chlorophenyl)-beta-alaninol,
(r)-3-amino-3-(4-chlorophenyl)propan-1-ol,
(3r)-3-amino-3-(4-chlorophenyl)propan-1-ol,
(r)-beta-(4-chlorophenyl)alaninol,
(R)-3-Amino-3-(4-chloro-phenyl)-propan-1-ol,
SCHEMBL16649881,
(R)-A-(4-Chlorophenyl)alaninol,
DTXSID30654212,
ZINC2530247,
FCH857508,
MFCD07784070,
AKOS017344550,
AJ-38489,
AS-37343,
AB0075766,
AX8035934,
X-3188,
(R)-3-(4-chlorophenyl)-beta-alaninol, AldrichCPR,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.651g/mol |
| Monoisotopic Mass | 185.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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