Ethyl 1-(aminomethyl)spiro[2.5]octane-1-carboxylate
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Basic information
- CAS
724773-40-4- Standard SMILES
CCOC(=O)C1(CN)CC12CCCCC2- InChIKey
XYEBZYNJSSEWEQ-UHFFFAOYSA-N- Molecular formula
- C12H21NO2
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.15722891
Names & identifiers
- Preferred name
- Ethyl 1-(aminomethyl)spiro[2.5]octane-1-carboxylate
- IUPAC
- ethyl 2-(aminomethyl)spiro[2.5]octane-2-carboxylate
- English name
- Ethyl 1-(aminomethyl)spiro[2.5]octane-1-carboxylate
- Molecular formula
- C12H21NO2
- Molecular weight
- 211.3
Names & synonyms
Ethyl 1-(aminomethyl)spiro[2.5]octane-1-carboxylate724773-40-4SCHEMBL5899681XYEBZYNJSSEWEQ-UHFFFAOYSA-NDB-1871471-aminomethyl-spiro[2.5]octane-1-carboxylic acid ethyl esterSpiro[2.5]octane-1-carboxylic acid, 1-(aminomethyl)-, ethyl ester
Database identifiers
- CAS
724773-40-4- PubChem CID
- 69599863
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 297 · 297.0±13.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 10.2 · 10.20±0.29(Predicted)
Related reactions
4 records
Compound notes
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