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1-{[1,1'-biphenyl]-4-yl}-3-(dimethylamino)propan-1-one hydrochloride

1-{[1,1'-biphenyl]-4-yl}-3-(dimethylamino)propan-1-one hydrochloride

CAS: 5409-63-2

Formula: C17H20ClNO

SMILES: Cl.CN(C)CCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1

IUPAC: 1-{[1,1'-biphenyl]-4-yl}-3-(dimethylamino)propan-1-one hydrochloride

InChI: InChI=1S/C17H19NO.ClH/c1-18(2)13-12-17(19)16-10-8-15(9-11-16)14-6-4-3-5-7-14;/h3-11H,12-13H2,1-2H3;1H

Composition: C (70.46%), H (6.96%), Cl (12.23%), N (4.83%), O (5.52%)

Molar Mass: 289.8

Atom Count: 40

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 289.123342
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZLBBNTLIRYOJMR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.73
Topological Polar Surface Area 20.31
Polarizability 32.19
Ring Count 2
Rotatable Bond Count 5

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