Phosphonic acid, [1-(butylamino)-1-methylpropyl]-, dibutyl ester
Basic information
- CAS
345196-16-9- Standard SMILES
CCCCNC(C)(CC)P(=O)(OCCCC)OCCCC- InChIKey
AYDNXLSWGBLOAE-UHFFFAOYSA-N- Molecular formula
- C16H36NO3P
- Average molar mass
- 321.44 g/mol
- Monoisotopic mass
- 321.24328101
Names & identifiers
- Preferred name
- Phosphonic acid, [1-(butylamino)-1-methylpropyl]-, dibutyl ester
- IUPAC
- N-butyl-2-dibutoxyphosphorylbutan-2-amine
Names & synonyms
Phosphonic acid, [1-(butylamino)-1-methylpropyl]-, dibutyl ester345196-16-9DTXSID80441578Dibutyl [2-(butylamino)butan-2-yl]phosphonate
Database identifiers
- CAS
345196-16-9- PubChem CID
- 10543768
- DTXSID
DTXSID80441578
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 285
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Compound notes
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