| CAS Number | 952729-65-6 |
| Catalog Number | AG019L7C |
| Chemical Name | Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride |
| IUPAC Name | methyl 3-amino-3-(4-bromophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C10H12BrNO2.ClH/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H |
| InChI Key | KCAPQHNPIIVGSF-UHFFFAOYSA-N |
| MDL Number | MFCD13295011 |
| Molecular Formula | C10H13BrClNO2 |
| Molecular Weight | 294.5727 |
| SMILES | O=C(OC)CC(N)C1=CC=C(Br)C=C1.[H]Cl |
| Synonyms | methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride,
952729-65-6,
METHYL (3S)-3-AMINO-3-(4-BROMOPHENYL)PROPANOATE HCl,
MLS000771118,
SCHEMBL2367231,
CHEMBL1879268,
AK172668,
SMR000376060,
Z199409082,
methyl (3S)-3-amino-3-(4-bromophenyl)propanoate;hydrochloride,
methyl 3-amino-3-(4-bromophenyl)propanoate hcl,
(S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride,
1245606-63-6,
(R)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride,
261761-47-1,
845908-98-7,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.573g/mol |
| Monoisotopic Mass | 292.982g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number