Einecs 298-622-2
Basic information
- CAS
93820-43-0- Standard SMILES
CC(C)CCCCC(=O)O.NC1CCCCC1- InChIKey
JPXIRBIAASOZOR-UHFFFAOYSA-N- Molecular formula
- C14H29NO2
- Average molar mass
- 243.39 g/mol
- Monoisotopic mass
- 243.21982917
Names & identifiers
- Preferred name
- Einecs 298-622-2
- IUPAC
- cyclohexanamine;6-methylheptanoic acid
Names & synonyms
EINECS 298-622-293820-43-0Isooctanoic acid, compound with cyclohexylamine (1:1)DTXSID509177356-Methylheptanoic acid--cyclohexanamine (1/1)
Database identifiers
- CAS
93820-43-0- PubChem CID
- 44153406
- DTXSID
DTXSID50917735- EC Number
- 298-622-2
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 144
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Related reactions
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Compound notes
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