Basic information
- CAS
66969-02-6- Standard SMILES
CN(C)CC12CC3CC(CC(C3)C1Br)C2.CN(C)CC12CC3CC(CC(C3)C1Br)C2.Cl.Cl.O- InChIKey
SDGBSUMWXQKCFN-UHFFFAOYSA-N- Molecular formula
- C26H48Br2Cl2N2O
- Average molar mass
- 635.4 g/mol
- Monoisotopic mass
- 632.15104
Names & identifiers
- Preferred name
- 1-(2-Bromoadamantan-1-yl)-N,N-dimethylmethanamine--hydrogen chloride--water (2/2/1)
- IUPAC
- bis(1-(2-bromo-1-adamantyl)-N,N-dimethylmethanamine);hydrate;dihydrochloride
- English name
- 1-(2-bromo-1-adamantyl)-N,N-dimethyl-methanamine hydrate dihydrochloride
- Molecular formula
- C26H48Br2Cl2N2O
- Molecular weight
- 0
Names & synonyms
66969-02-6DTXSID409857811-(2-Bromoadamantan-1-yl)-N,N-dimethylmethanamine--hydrogen chloride--water (2/2/1)RefChem:1053909DTXCID1014129722-Bromo-N,N-dimethyl-1-adamantanemethanamine hydrochloride hemihydrateAdamantane, 2-bromo-1-(N,N-dimethylaminomethyl)-, hydrochloride hemihydrate1-ADAMANTANEMETHYLAMINE, 2-BROMO-N,N-DIMETHYL-, HYDROCHLORIDE, HEMIHYDRATE1-(2-bromo-1-adamantyl)-N,N-dimethyl-methanamine hydrate dihydrochloride
Database identifiers
- CAS
66969-02-6- PubChem CID
- 48816
- DTXSID
DTXSID40985781
Properties
Computed structural properties
- Topological polar surface area
- 7.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 249
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…