N-cyclohexylcyclohexanamine;(3-methyl-2-oxobutyl)phosphonic acid
Basic information
- CAS
68064-37-9- Standard SMILES
C1CCC(NC2CCCCC2)CC1.CC(C)C(=O)CP(=O)(O)O- InChIKey
FGBAPPIBZSXEKG-UHFFFAOYSA-N- Molecular formula
- C17H34NO4P
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.22254556
Names & identifiers
- Preferred name
- N-cyclohexylcyclohexanamine;(3-methyl-2-oxobutyl)phosphonic acid
- IUPAC
- N-cyclohexylcyclohexanamine;(3-methyl-2-oxobutyl)phosphonic acid
Names & synonyms
68064-37-9NSC320515DTXSID20317783NSC-320515(3-Methyl-2-oxobutyl)phosphonic acid--N-cyclohexylcyclohexanamine (1/1)
Database identifiers
- CAS
68064-37-9- PubChem CID
- 330864
- DTXSID
DTXSID20317783
Properties
Computed structural properties
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 285
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…