5-(Methoxycarbonyl)-5-methyl-2-(3-pyridinyl)-3-pyrrolidinecarboxylic acid dihydrochloride
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Basic information
- CAS
1177765-79-5- Standard SMILES
COC(=O)C1(C)CC(C(=O)O)C(c2cccnc2)N1.Cl.Cl- InChIKey
OBHUGOOAEPEOMH-UHFFFAOYSA-N- Molecular formula
- C13H18Cl2N2O4
- Average molar mass
- 337.2 g/mol
- Monoisotopic mass
- 336.0643624
Names & identifiers
- Preferred name
- 5-(Methoxycarbonyl)-5-methyl-2-(3-pyridinyl)-3-pyrrolidinecarboxylic acid dihydrochloride
- IUPAC
- 5-methoxycarbonyl-5-methyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;dihydrochloride
- English name
- 5-(METHOXYCARBONYL)-5-METHYL-2-(3-PYRIDINYL)-3-PYRROLIDINECARBOXYLIC ACID DIHYDROCHLORIDE
- Molecular formula
- C13H18Cl2N2O4
- Molecular weight
- 337.19902
Names & synonyms
1177765-79-55-(methoxycarbonyl)-5-methyl-2-(3-pyridinyl)-3-pyrrolidinecarboxylic acid dihydrochloride5-(methoxycarbonyl)-5-methyl-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid dihydrochloride5-methoxycarbonyl-5-methyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;dihydrochlorideMFCD09027166AKOS0050733605-(methoxycarbonyl)-5-methyl-2-(pyridin-3-yl)pyrrolidine-3-carboxylicaciddihydrochloride5-methoxycarbonyl-5-methyl-2-(3-pyridyl)pyrrolidine-3-carboxylic acid;dihydrochloride
Database identifiers
- CAS
1177765-79-5- PubChem CID
- 18526277
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- hazard_class
- IRRITANT
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Compound notes
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