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

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

CAS: 98897-23-5

Formula: C16H21NO2

SMILES: [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

InChI: InChI=1/C16H21NO2/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/i1D3,2D3,12D

Composition: C (72.14%), H (5.30%), [2H] (5.29%), N (5.26%), O (12.01%)

Molar Mass: 266.392

Atom Count: 40

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 266.201166142
Formal Charge 0
FSP3 0.37
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AQHHHDLHHXJYJD-QLWPOVNFNA-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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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 98897-23-5 $119.08-$593.23$119.08$355.06$593.23
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CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 98897-23-5 $138.72-$1,108.74$138.72$1,108.74
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