Basic information
- CAS
78982-27-1- Standard SMILES
COC(CCCNCCCC(OC)OC)OC- InChIKey
DDQYFUIDTKXNDL-UHFFFAOYSA-N- Molecular formula
- C12H27NO4
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.19400834
Names & identifiers
- Preferred name
- N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine
- IUPAC
- N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amine
Names & synonyms
78982-27-1N-(4,4-dimethoxybutyl)-4,4-dimethoxybutan-1-amineNSC351167SCHEMBL8029566DTXSID20319828NSC-351167
Database identifiers
- CAS
78982-27-1- PubChem CID
- 336509
- DTXSID
DTXSID20319828
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 133
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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