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Ethanamine, N,N-diethyl-2-((4b,5,6,7,8,8a,9,10-octahydro-8-phenyl-2-phenanthrenyl)oxy)-, hydrochloride, (4b-alpha,8-beta,8a-beta)-

HCID 3049062
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Basic information

CAS
64391-21-5
Standard SMILES
CCN(CC)CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CCC[C@H]1c1ccccc1.Cl
InChIKey
QQLHPWZYQNLBMW-FDBLRJDCSA-N
Molecular formula
C26H36ClNO
Average molar mass
414 g/mol
Monoisotopic mass
413.2485425

Names & identifiers

Preferred name
Ethanamine, N,N-diethyl-2-((4b,5,6,7,8,8a,9,10-octahydro-8-phenyl-2-phenanthrenyl)oxy)-, hydrochloride, (4b-alpha,8-beta,8a-beta)-
IUPAC
2-[[(4bS,8R,8aS)-8-phenyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl]oxy]-N,N-diethylethanamine;hydrochloride

Names & synonyms

64391-21-5Ethanamine, N,N-diethyl-2-((4b,5,6,7,8,8a,9,10-octahydro-8-phenyl-2-phenanthrenyl)oxy)-, hydrochloride, (4b-alpha,8-beta,8a-beta)-DTXSID30982941N,N-Diethyl-2-[(8-phenyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl)oxy]ethan-1-amine--hydrogen chloride (1/1)N,N-Diethyl-2-{[(4bS,8R,8aS)-8-phenyl-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl]oxy}ethan-1-amine--hydrogen chloride (1/1)

Database identifiers

CAS
64391-21-5
PubChem CID
3049062
DTXSID
DTXSID30982941

Properties

Computed structural properties

Topological polar surface area
12.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
29
Formal charge
0
Complexity
455

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