2-(Diethylamino)cyclohexyl hydrogen (3-(hexyloxy)phenyl)carbonimidate--hydrogen chloride (1/1)
Basic information
- CAS
38198-32-2- Standard SMILES
CCCCCCOc1cccc(NC(=O)O[C@H]2CCCC[C@@H]2[NH+](CC)CC)c1.[Cl-]- InChIKey
FZVASDVKRPBOHR-VROPFNGYSA-N- Molecular formula
- C23H39ClN2O3
- Average molar mass
- 427 g/mol
- Monoisotopic mass
- 426.2649208
Names & identifiers
- Preferred name
- 2-(Diethylamino)cyclohexyl hydrogen (3-(hexyloxy)phenyl)carbonimidate--hydrogen chloride (1/1)
- IUPAC
- diethyl-[(1S,2S)-2-[(3-hexoxyphenyl)carbamoyloxy]cyclohexyl]azanium chloride
Names & synonyms
DTXSID009591252-(Diethylamino)cyclohexyl hydrogen (3-(hexyloxy)phenyl)carbonimidate--hydrogen chloride (1/1)RefChem:1061601DTXCID30138701438198-32-2m-Hexyloxycarbanilic acid trans-2-(diethylamino)cyclohexyl ester hydrochloride(E)-2-(Diethylamino)cyclohexyl m-hexyloxycarbanilate hydrochloride
Database identifiers
- CAS
38198-32-2- PubChem CID
- 37935
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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