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1-[2-(2-hydroxy-3-{[(1,1,2,2,3,3,3-²H?)propyl]amino}propoxy)phenyl]-3-phenylpropan-1-one hydrochloride

1-[2-(2-hydroxy-3-{[(1,1,2,2,3,3,3-²H?)propyl]amino}propoxy)phenyl]-3-phenylpropan-1-one hydrochloride

CAS: 1219799-06-0

Formula: C21H28ClNO3

SMILES: Cl.[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])NCC(O)COC1=C(C=CC=C1)C(=O)CCC1=CC=CC=C1

IUPAC: 1-[2-(2-hydroxy-3-{[(1,1,2,2,3,3,3-²H?)propyl]amino}propoxy)phenyl]-3-phenylpropan-1-one hydrochloride

InChI: InChI=1/C21H27NO3.ClH/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17;/h3-11,18,22-23H,2,12-16H2,1H3;1H/i1D3,2D2,14D2;

Composition: C (65.52%), H (5.50%), [2H] (3.66%), Cl (9.21%), N (3.64%), O (12.47%)

Molar Mass: 384.95

Atom Count: 54

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 384.2197087
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey XWIHRGFIPXWGEF-YYEJEILINA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.21
Topological Polar Surface Area 58.56
Polarizability 39.38
Ring Count 2
Rotatable Bond Count 11

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Purity (%)
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Ships Within
Days
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CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1219799-06-0 $223.38-$374.34$223.38$374.34
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