Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride
Basic information
- CAS
96436-00-9- Standard SMILES
CCOC(=O)C(CC)(C[NH+]1CCCCC1)C(N)=O.[Cl-]- InChIKey
JLYMSGTYAIDQJX-UHFFFAOYSA-N- Molecular formula
- C13H25ClN2O3
- Average molar mass
- 292.8 g/mol
- Monoisotopic mass
- 292.1553704
Names & identifiers
- Preferred name
- Malonamic acid, 2-ethyl-2-(piperidinomethyl)-, ethyl ester, monohydrochloride
- IUPAC
- ethyl 2-carbamoyl-2-(piperidin-1-ium-1-ylmethyl)butanoate chloride
Names & synonyms
Sch 37112-Ethyl-2-(piperidinomethyl)malonamic acid ethyl ester hydrochloride96436-00-9Amide dell'etil-piperidinometil-malonato monoetilico cloridrato [Italian]MALONAMIC ACID, 2-ETHYL-2-(PIPERIDINOMETHYL)-, ETHYL ESTER, MONOHYDROCHLORIDEAmide dell'etil-piperidinometil-malonato monoetilico cloridratoRefChem:351812ethyl 2-carbamoyl-2-(piperidin-1-ium-1-ylmethyl)butanoate chlorideSch 3711, CID57091, LS-88750, 2-Ethyl-2-(piperidinomethyl)malonamic acid ethyl ester hydrochloride, Amide delletil-piperidinometil-malonato monoetilico cloridrato, Amide delletil-piperidinometil-malonato monoetilico cloridrato [Italian], MALONAMIC ACID, 2-ETHYL-2-(PIPERIDINOMETHYL)-, ETHYL ESTER, MONOHYDROCHLORIDE, 96436-00-9
Database identifiers
- CAS
96436-00-9- PubChem CID
- 57091
Properties
Computed structural properties
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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