| CAS Number | 171911-83-4 |
| Catalog Number | AG00AS9X(AGN-PC-0Q9Z8M) |
| Chemical Name | 3-Amino-3-(2-bromophenyl)propan-1-ol |
| IUPAC Name | 3-amino-3-(2-bromophenyl)propan-1-ol |
| InChI | InChI=1S/C9H12BrNO/c10-8-4-2-1-3-7(8)9(11)5-6-12/h1-4,9,12H,5-6,11H2 |
| InChI Key | AVWNPPJNIPXJIZ-UHFFFAOYSA-N |
| MDL Number | MFCD06227470 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | NC(C1=C(Br)C=CC=C1)CCO |
| Synonyms | 3-amino-3-(2-bromophenyl)propan-1-ol,
171911-83-4,
(3R)-3-AMINO-3-(2-BROMOPHENYL)PROPAN-1-OL,
(3S)-3-AMINO-3-(2-BROMOPHENYL)PROPAN-1-OL,
1213838-41-5,
1213960-31-6,
SCHEMBL8964412,
AKOS011675907,
NE28872,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number