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1-(naphthalen-1-yloxy)-3-{[(1,1,1,2,3,3,3-²H?)propan-2-yl]amino}propan-2-ol hydrochloride

1-(naphthalen-1-yloxy)-3-{[(1,1,1,2,3,3,3-²H?)propan-2-yl]amino}propan-2-ol hydrochloride

CAS: 1613439-56-7

Formula: C16H22ClNO2

SMILES: Cl.[2H]C([2H])([2H])C([2H])(NCC(O)COC1=CC=CC2=CC=CC=C12)C([2H])([2H])[2H]

IUPAC: 1-(naphthalen-1-yloxy)-3-{[(1,1,1,2,3,3,3-²H?)propan-2-yl]amino}propan-2-ol hydrochloride

InChI: InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H/i1D3,2D3,12D;

Composition: C (63.46%), H (4.99%), [2H] (4.66%), Cl (11.71%), N (4.63%), O (10.57%)

Molar Mass: 302.85

Atom Count: 42

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 302.1778439
Formal Charge 0
FSP3 0.37
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZMRUPTIKESYGQW-ODLOEXKQNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.83
Topological Polar Surface Area 41.49
Polarizability 31.77
Ring Count 2
Rotatable Bond Count 6

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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 1613439-56-7 $146.88-$1,137.30$146.88$549.78$1,137.30
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