Adamantane, 1,3-bis(2-dimethylaminoethyl)-, dihydrochloride

HCID 40488

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Basic information

CAS: 52673-65-1
Standard SMILES: CN(C)CCC12CC3CC(C1)CC(CCN(C)C)(C3)C2.Cl.Cl
InChIKey: FAPJKUXLWRHQRD-UHFFFAOYSA-N
Molecular formula: C18H36Cl2N2
Average molar mass: 351.4 g/mol
Monoisotopic mass: 350.2255545

Names & identifiers

Preferred name: Adamantane, 1,3-bis(2-dimethylaminoethyl)-, dihydrochloride
IUPAC: 2-[3-[2-(dimethylamino)ethyl]-1-adamantyl]-N,N-dimethylethanamine;dihydrochloride

Names & synonyms

ADAMANTANE, 1,3-BIS(2-DIMETHYLAMINOETHYL)-, DIHYDROCHLORIDE52673-65-1DTXSID00200649Ethylamine, 2,2'-(1,3-adamantylene)-N,N,N',N'-tetramethyl-, dihydrochlorideRefChem:317208DTXCID801231402,2'-(Tricyclo[3.3.1.1~3,7~]decane-1,3-diyl)bis(N,N-dimethylethan-1-amine)--hydrogen chloride (1/2)

Database identifiers

CAS: 52673-65-1
PubChem CID: 40488
DTXSID: DTXSID00200649

Properties

Computed structural properties

Topological polar surface area: 6.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 303

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