Basic information
- CAS
59177-62-7- Standard SMILES
CNCC12CC3CC(CC(C3)C1Cl)C2.Cl- InChIKey
CJYGDQSGQZUEBD-UHFFFAOYSA-N- Molecular formula
- C12H21Cl2N
- Average molar mass
- 250.2 g/mol
- Monoisotopic mass
- 249.1051051
Names & identifiers
- Preferred name
- 1-(2-Chloroadamantan-1-yl)-N-methylmethanamine--hydrogen chloride (1/1)
- IUPAC
- 1-(2-chloro-1-adamantyl)-N-methylmethanamine;hydrochloride
Names & synonyms
59177-62-7DTXSID309746041-(2-Chloroadamantan-1-yl)-N-methylmethanamine--hydrogen chloride (1/1)RefChem:1053931DTXCID5014020282-Chloro-N-methyl-1-adamantanemethanamine hydrochloride1-ADAMANTANEMETHYLAMINE, 2-CHLORO-N-METHYL-, HYDROCHLORIDECHEMBL3275773
Database identifiers
- CAS
59177-62-7- PubChem CID
- 42965
- DTXSID
DTXSID30974604- ChEMBL
CHEMBL3275773
Properties
Computed structural properties
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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