Ethyl 2-(hydroxymethyl)piperidine-1-carboxylate
Basic information
- CAS
208454-12-0- Standard SMILES
CCOC(=O)N1CCCCC1CO- InChIKey
UDNPDXGEDGUHFJ-UHFFFAOYSA-N- Molecular formula
- C9H17NO3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.1208434
Names & identifiers
- Preferred name
- Ethyl 2-(hydroxymethyl)piperidine-1-carboxylate
- IUPAC
- ethyl 2-(hydroxymethyl)piperidine-1-carboxylate
- English name
- 2-HydroxyMethyl-piperidine-1-carboxylic acid ethyl ester
- Molecular formula
- C9H17NO3
- Molecular weight
- 187.24
Names & synonyms
Ethyl 2-(hydroxymethyl)piperidine-1-carboxylate208454-12-01-ethoxycarbonyl-2-Piperidinemethanol208454-13-1Ethyl2-(hydroxymethyl)piperidine-1-carboxylateDTXSID90586343MFCD09752677AKOS005067944SB41857208454-14-2DB-066345DB-066346
Show more names
2-HydroxyMethyl-piperidine-1-carboxylic acid ethyl ester2-(hydroxymethyl)-1-Piperidinecarboxylic acid ethyl ester1-Piperidinecarboxylic acid, 2-(hydroxymethyl)-, ethyl ester
DB-066347
Database identifiers
- CAS
208454-12-0- PubChem CID
- 16640741
- DTXSID
DTXSID90586343
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 290.2 · 290.2±13.0 °C(Predicted)
- Density
- 1.1 · 1.100±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 15.08 · 15.08±0.10(Predicted)
Chemistry & industry
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