N-cyclohexylcyclohexanamine;2-(diphenylphosphinothioylamino)-4-methylsulfanylbutanoic acid
Basic information
- CAS
61058-01-3- Standard SMILES
C1CCC(NC2CCCCC2)CC1.CSCCC(NP(=S)(c1ccccc1)c1ccccc1)C(=O)O- InChIKey
NMMAFCUTVDNVGG-UHFFFAOYSA-N- Molecular formula
- C29H43N2O2PS2
- Average molar mass
- 546.8 g/mol
- Monoisotopic mass
- 546.25035796
Names & identifiers
- Preferred name
- N-cyclohexylcyclohexanamine;2-(diphenylphosphinothioylamino)-4-methylsulfanylbutanoic acid
- IUPAC
- N-cyclohexylcyclohexanamine;2-(diphenylphosphinothioylamino)-4-methylsulfanylbutanoic acid
Names & synonyms
NSC28975461058-01-3NSC 289754N-(Diphenylphosphorothioyl)-S-methylhomocysteine compound with N-cyclohexylcyclohexanamine (1:1)NSC-289754N-cyclohexylcyclohexanamine; 2-(diphenylphosphinothioylamino)-4-methylsulfanyl-butanoic acid
Database identifiers
- CAS
61058-01-3- PubChem CID
- 324422
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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