Basic information
- CAS
68064-35-7- Standard SMILES
C1CCC(NC2CCCCC2)CC1.CC(=O)C(C)P(=O)(O)O- InChIKey
HINRIFSPWZKVIO-UHFFFAOYSA-N- Molecular formula
- C16H32NO4P
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.2068955
Names & identifiers
- Preferred name
- N-cyclohexylcyclohexanamine; 3-oxobutan-2-ylphosphonic acid
- IUPAC
- N-cyclohexylcyclohexanamine;3-oxobutan-2-ylphosphonic acid
Names & synonyms
68064-35-7N-cyclohexylcyclohexanamine; 3-oxobutan-2-ylphosphonic acidNSC320513DTXSID60317782NSC-320513(3-Oxobutan-2-yl)phosphonic acid--N-cyclohexylcyclohexanamine (1/1)
Database identifiers
- CAS
68064-35-7- PubChem CID
- 330862
- DTXSID
DTXSID60317782
Properties
Computed structural properties
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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