Basic information
- CAS
36520-93-1- Standard SMILES
CN(CCO)C12CC3CC(C1)CC(C14CC5CC(CC(N(C)CCO)(C5)C1)C4)(C3)C2- InChIKey
HFBVTKIGNOOOLK-UHFFFAOYSA-N- Molecular formula
- C26H44N2O2
- Average molar mass
- 416.6 g/mol
- Monoisotopic mass
- 416.34027865
Names & identifiers
- Preferred name
- Ethanol, 2,2'-(1,1'-biadamantane-3,3'-diyl)bis(methylimino)di-
- IUPAC
- 2-[[3-[3-[2-hydroxyethyl(methyl)amino]-1-adamantyl]-1-adamantyl]-methylamino]ethanol
Names & synonyms
BRN 28881402,2'-(1,1'-Biadamantane-3,3'-diyl)bis(methylimino)diethanol36520-93-1Ethanol, 2,2'-(1,1'-biadamantane-3,3'-diyl)bis(methylimino)di-RefChem:340693DTXSID009578232,2'-[[1,1'-Bi(tricyclo[3.3.1.1~3,7~]decane)]-3,3'-diylbis(methylazanediyl)]di(ethan-1-ol)
Database identifiers
- CAS
36520-93-1- PubChem CID
- 64308
- DTXSID
DTXSID00957823
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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