8-Azaspiro[4.5]decan-2-ylmethyl acetate
Basic information
- CAS
2007921-09-5- Standard SMILES
CC(=O)OCC1CCC2(CCNCC2)C1- InChIKey
VOKRTMGCPJNIGN-UHFFFAOYSA-N- Molecular formula
- C12H21NO2
- Average molar mass
- 211.3 g/mol
Names & identifiers
- Preferred name
- 8-Azaspiro[4.5]decan-2-ylmethyl acetate
- IUPAC
- 8-azaspiro[4.5]decan-3-ylmethyl acetate
- English name
- 8-Azaspiro[4.5]decan-2-ylmethyl acetate
- Molecular formula
- C12H21NO2
- Molecular weight
- 211.31
Names & synonyms
8-AZASPIRO[4.5]DECAN-2-YLMETHYL ACETATE2007921-09-58-azaspiro[4.5]decan-3-ylmethyl acetateWS-01606CS-0080189W119098-AZASPIRO[4.5]DECAN-2-YLMETHYLACETATE8-Azaspiro[4.5]decane-2-methanol, 2-acetate
Database identifiers
- CAS
2007921-09-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 298.8 · 298.8±13.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 11.03 · 11.03±0.40(Predicted)
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Compound notes
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