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4-(2-hydroxy-3-{[(1,1,1,2,3,3,3-²H?)propan-2-yl]amino}propoxy)naphthalen-1-ol hydrochloride

4-(2-hydroxy-3-{[(1,1,1,2,3,3,3-²H?)propan-2-yl]amino}propoxy)naphthalen-1-ol hydrochloride

CAS: 1219804-03-1

Formula: C16H22ClNO3

SMILES: Cl.[2H]C([2H])([2H])C([2H])(NCC(O)COC1=CC=C(O)C2=CC=CC=C12)C([2H])([2H])[2H]

IUPAC: 4-(2-hydroxy-3-{[(1,1,1,2,3,3,3-²H?)propan-2-yl]amino}propoxy)naphthalen-1-ol hydrochloride

InChI: InChI=1/C16H21NO3.ClH/c1-11(2)17-9-12(18)10-20-16-8-7-15(19)13-5-3-4-6-14(13)16;/h3-8,11-12,17-19H,9-10H2,1-2H3;1H/i1D3,2D3,11D;

Composition: C (60.27%), H (4.74%), [2H] (4.42%), Cl (11.12%), N (4.39%), O (15.05%)

Molar Mass: 318.85

Atom Count: 43

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 318.1727585
Formal Charge 0
FSP3 0.37
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey ROUJENUXWIFONU-BGKGEVRXNA-N
Lipinski's Rule of Five 1
Molar Refractivity 78.81
Topological Polar Surface Area 61.72
Polarizability 32.33
Ring Count 2
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1219804-03-1 $119.08-$593.23$119.08$355.06$593.23
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