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1-(3-chlorophenyl)-2-{[2-(²H?)methyl(1,1,1,3,3,3-²H?)propan-2-yl]amino}propan-1-one hydrochloride

1-(3-chlorophenyl)-2-{[2-(²H?)methyl(1,1,1,3,3,3-²H?)propan-2-yl]amino}propan-1-one hydrochloride

CAS: 1189725-26-5

Formula: C13H19Cl2NO

SMILES: Cl.[2H]C([2H])([2H])C(NC(C)C(=O)C1=CC(Cl)=CC=C1)(C([2H])([2H])[2H])C([2H])([2H])[2H]

IUPAC: 1-(3-chlorophenyl)-2-{[2-(²H?)methyl(1,1,1,3,3,3-²H?)propan-2-yl]amino}propan-1-one hydrochloride

InChI: InChI=1/C13H18ClNO.ClH/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10;/h5-9,15H,1-4H3;1H/i2D3,3D3,4D3;

Composition: C (54.74%), H (3.53%), [2H] (6.35%), Cl (24.85%), N (4.91%), O (5.61%)

Molar Mass: 285.26

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 284.1408603
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HEYVINCGKDONRU-WWMMTMLWNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.7
Topological Polar Surface Area 29.1
Polarizability 26.66
Ring Count 1
Rotatable Bond Count 4

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Purity (%)
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CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1189725-26-5 $134.64-$726.24$134.64$507.96$726.24
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