Basic information
- CAS
93941-64-1- Standard SMILES
CC1(C)CC(N)CC(C)(CNCc2ccccc2O)C1- InChIKey
TUZKNMIWXJGDAP-UHFFFAOYSA-N- Molecular formula
- C17H28N2O
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.22016352
Names & identifiers
- Preferred name
- 5-Amino-1,3,3-trimethylcyclohexanemethylamine, N-(o-hydroxybenzyl)derivative
- IUPAC
- 2-[[(5-amino-1,3,3-trimethylcyclohexyl)methylamino]methyl]phenol
Names & synonyms
93941-64-1EINECS 300-513-25-Amino-1,3,3-trimethylcyclohexanemethylamine, N-(o-hydroxybenzyl)derivativeDTXSID709169822-({[(5-AMINO-1,3,3-TRIMETHYLCYCLOHEXYL)METHYL]AMINO}METHYL)PHENOL
Database identifiers
- CAS
93941-64-1- PubChem CID
- 56841199
- DTXSID
DTXSID70916982- EC Number
- 300-513-2
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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