(S)-methyl 3-amino-3-(pyridin-3-yl)propanoate hydrochloride
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Basic information
- CAS
198959-36-3- Standard SMILES
COC(=O)C[C@H](N)c1cccnc1.Cl- InChIKey
VSDBARJMTPLKNY-QRPNPIFTSA-N- Molecular formula
- C9H13ClN2O2
- Average molar mass
- 216.66 g/mol
- Monoisotopic mass
- 216.0665554
Names & identifiers
- Preferred name
- (S)-methyl 3-amino-3-(pyridin-3-yl)propanoate hydrochloride
- IUPAC
- methyl (3S)-3-amino-3-pyridin-3-ylpropanoate;hydrochloride
- English name
- (S)-3-AMINO-3-(3'-PYRIDYL)PROPIONIC ACID METHYL ESTER HYDROCHLORIDE
- Molecular formula
- C9H13ClN2O2
- Molecular weight
- 216.66
Names & synonyms
1217624-51-5198959-36-3(S)-3-Amino-3-(3'-pyridyl)propionic acid methyl ester hydrochloridemethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;hydrochlorideMethyl (S)-3-amino-3-(pyridin-3-yl)propanoate hydrochloride(S)-methyl 3-amino-3-(pyridin-3-yl)propanoate hydrochloride(S)-3-AMINO-3-(3'-PYRIDYL)PROPIONIC ACID METHYL ESTER HCLDTXSID80661370(S)-3-AMINO-3-(3/'-PYRIDYL)PROPIONIC ACID METHYL ESTER HYDROCHLORIDEAKOS015917043CS-0199858(S)-methyl3-amino-3-(pyridin-3-yl)propanoatehydrochloride
Show more names
methyl (S)-3-amino-3-(pyridin-3-yl)propanoate dihydrochloride(S)-Methyl 3-amino-3-(pyridin-3-yl)propanoate dihydrochloride(S)-3-AMINO-3-PYRIDIN-3-YL-PROPIONIC ACID METHYL ESTER HYDROCHLORIDE(S)-3-AMINO-3-(3'-PYRIDYL)PROPIONIC ACID METHYL ESTER DIHYDROCHLORIDE3-Pyridinepropanoic acid, .beta.-amino-, methyl ester, hydrochloride (1:2), (.beta.S)-
methyl (3S)-3-amino-3-(3-pyridyl)propanoate;hydrochlorideMethyl (3S)-3-amino-3-(pyridin-3-yl)propanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
198959-36-3- PubChem CID
- 44890872
- DTXSID
DTXSID80661370
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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