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dimethyl(3-{9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene}propyl)amine hydrochloride

dimethyl(3-{9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene}propyl)amine hydrochloride

CAS: 1229-29-4

Formula: C19H22ClNO

SMILES: Cl.CN(C)CCC=C1C2=CC=CC=C2OCC2=C1C=CC=C2

IUPAC: dimethyl(3-{9-oxatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene}propyl)amine hydrochloride

InChI: InChI=1S/C19H21NO.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H

Composition: C (72.25%), H (7.02%), Cl (11.22%), N (4.43%), O (5.07%)

Molar Mass: 315.84

Atom Count: 44

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 315.138992
Formal Charge 0
FSP3 0.26
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MHNSPTUQQIYJOT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.24
Topological Polar Surface Area 12.47
Polarizability 34.1
Ring Count 3
Rotatable Bond Count 3

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