Basic information
- CAS
67293-85-0- Standard SMILES
CN(C)CC1(O)C2CCC3CC(C2)CC31.CN(C)CC1(O)C2CCC3CC(C2)CC31.CN(C)CC1(O)C2CCC3CC(C2)CC31.Cl.Cl.Cl.O- InChIKey
SVYQGDWCZIVPLP-UHFFFAOYSA-N- Molecular formula
- C39H74Cl3N3O4
- Average molar mass
- 755.4 g/mol
- Monoisotopic mass
- 753.474491
Names & identifiers
- Preferred name
- 2,5-Methanoindan-4-methylamine, hexahydro-N,N-dimethyl-4-hydroxy-, hydrochloride, hydrate(3:3:1)
- IUPAC
- tris(7-[(dimethylamino)methyl]tricyclo[4.3.1.03,8]decan-7-ol);hydrate;trihydrochloride
Names & synonyms
2,5-Methanoindan-4-methylamine, hexahydro-N,N-dimethyl-4-hydroxy-, hydrochloride, hydrate(3:3:1)67293-85-0N,N-Dimethyl-4-hydroxy-4-protoadamantanemethanamine hydrochloride hydrateRefChem:247728DTXSID209865594-[(Dimethylamino)methyl]octahydro-1H-2,5-methanoinden-4-ol--hydrogen chloride--water (3/3/1)
Database identifiers
- CAS
67293-85-0- PubChem CID
- 64474
- DTXSID
DTXSID20986559
Properties
Computed structural properties
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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