| CAS Number | 1245606-63-6 |
| Catalog Number | AG000M7B(AGN-PC-0WAM9B) |
| Chemical Name | Benzenepropanoic acid, β-amino-4-bromo-, methyl ester, hydrochloride (1:1), (βS)- |
| IUPAC Name | methyl (3S)-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/t9-;/m0./s1 |
| InChI Key | KCAPQHNPIIVGSF-FVGYRXGTSA-N |
| MDL Number | MFCD12911008 |
| Molecular Formula | C10H13BrClNO2 |
| Molecular Weight | 294.5727 |
| SMILES | O=C(OC)C[C@H](N)C1=CC=C(Br)C=C1.[H]Cl |
| Synonyms | (S)-Methyl 3-amino-3-(4-bromophenyl)propanoate hydrochloride,
1245606-63-6,
261761-47-1,
(S)-Methyl 3-amino-3-(4-bromophenyl)propanoate HCl,
METHYL (3S)-3-AMINO-3-(4-BROMOPHENYL)PROPANOATE HCl,
KS-000026DZ,
MFCD12911008,
AKOS025395727,
GS-7189,
KS-00000T04,
AX8297074,
methyl (3S)-3-amino-3-(4-bromophenyl)propanoate hydrochloride,
Benzenepropanoic acid, beta-amino-4-bromo-, methyl ester, hydrochloride (1:1), (betaS)-,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number