| CAS Number | 153524-69-7 |
| Catalog Number | AG00APNS(AGN-PC-0Q6K4V) |
| Chemical Name | Ethyl (s)-3-(3-pyridyl)-beta-alanate DiHCl |
| IUPAC Name | ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride |
| InChI | InChI=1S/C10H14N2O2.2ClH/c1-2-14-10(13)6-9(11)8-4-3-5-12-7-8;;/h3-5,7,9H,2,6,11H2,1H3;2*1H/t9-;;/m0../s1 |
| InChI Key | GGANVLPLTUQZIF-WWPIYYJJSA-N |
| MDL Number | MFCD06796541 |
| Molecular Formula | C10H16Cl2N2O2 |
| Molecular Weight | 267.1522 |
| SMILES | Cl[H].Cl[H].O(CC)C(C[C@@H](C1=CC=CN=C1)N)=O |
| Synonyms | 153524-69-7,
Ethyl (S)-3-(3-pyridyl)-beta-alanate 2HCl,
ethyl (s)-3-(3-pyridyl)-beta-alanate dihydrochloride,
(s)-3-amino-3-pyridin-3-yl-propionic acid ethyl ester dihydrochloride,
(s)-3-amino-3-(3-pyridyl)-propionic acid ethyl ester dihydrochloride,
GGANVLPLTUQZIF-WWPIYYJJSA-N,
SCHEMBL7371852,
CTK8E8071,
DTXSID30661547,
MFCD06796541,
AS-35359,
RT-012507,
Ethyl (s)-3-(3-pyridyl)-beta-alanate DiHCl,
A-2193,
Ethyl (S)-3-(3-Pyridyl)- -alanate dihydrochloride,
ethyl 3-amino-3(S)-(3-pyridyl)propionate dihydrochloride,
Ethyl (3S)-3-amino-3-(pyridin-3-yl)propanoate--hydrogen chloride (1/2),
(S)-Ethyl 3-amino-2-(pyridin-3-yl)propanoate dihydrochloride,
(S)-ethyl 3-amino-3-(pyridin-3-yl)propanoate dihydrochloride,
(S)-3-Amino-3-(3-pyridyl)-propionicacidethylesterdihydrochloride,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.15g/mol |
| Monoisotopic Mass | 266.059g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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