Basic information
- CAS
54647-77-7- Standard SMILES
C1CCC(NC2CCCCC2)CC1.CC(C)C(NC(=O)OCc1ccccc1)C(=O)O- InChIKey
DKSXSYBQFIICCS-UHFFFAOYSA-N- Molecular formula
- C25H40N2O4
- Average molar mass
- 432.6 g/mol
- Monoisotopic mass
- 432.29880776
Names & identifiers
- Preferred name
- N-Cyclohexylcyclohexanamine;3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
- IUPAC
- N-cyclohexylcyclohexanamine;3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid
Names & synonyms
54647-77-7EINECS 259-274-7N-Cyclohexylcyclohexanamine;3-methyl-2-(phenylmethoxycarbonylamino)butanoic acidNSC 139936N-((Benzyloxy)carbonyl)-L-valine, compound with dicyclohexylamine (1:1)NSC139936NSC-139936
Database identifiers
- CAS
54647-77-7- PubChem CID
- 284166
- EC Number
- 259-274-7
Properties
Computed structural properties
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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