Basic information
- CAS
101221-48-1- Standard SMILES
CN(CCO)C12CC3CC(C1)CC(C14CC5CC(CC(N(C)CCO)(C5)C1)C4)(C3)C2.Cl.Cl- InChIKey
ADNOXTGIKQXGLJ-UHFFFAOYSA-N- Molecular formula
- C26H46Cl2N2O2
- Average molar mass
- 489.6 g/mol
- Monoisotopic mass
- 488.2936341
Names & identifiers
- Preferred name
- 2,2'-((1,1'-Bi(tricyclo(3.3.1.1~3,7~)decane))-3,3'-diylbis(methylazanediyl))di(ethan-1-ol)--hydrogen chloride (1/2)
- IUPAC
- 2-[[3-[3-[2-hydroxyethyl(methyl)amino]-1-adamantyl]-1-adamantyl]-methylamino]ethanol;dihydrochloride
Names & synonyms
DTXSID90905999101221-48-12,2'-((1,1'-Bi(tricyclo(3.3.1.1~3,7~)decane))-3,3'-diylbis(methylazanediyl))di(ethan-1-ol)--hydrogen chloride (1/2)2,2'-[[1,1'-Bi(tricyclo[3.3.1.1~3,7~]decane)]-3,3'-diylbis(methylazanediyl)]di(ethan-1-ol)--hydrogen chloride (1/2)RefChem:1058833DTXCID101335100Ethanol, 2,2'-((1,1'-biadamantane)-3,3'-diyl)bis(methylimino)di-, dihydrochloride2,2'-((1,1'-Biadamantane)-3,3'-diyl)bis(methylimino)di-ethanol dihydrochlorideEthanol, 2,2'-1,1'-bitricyclo(3.3.1.1(sup 3,7))decane-3,3'-diylbis(methylimino)bis-, 2HCl36520-95-3
Database identifiers
- CAS
101221-48-1、36520-95-3- PubChem CID
- 64309
- DTXSID
DTXSID90905999
Properties
Computed structural properties
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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