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1 Gram |
Negotiable |
2-(dibutylamino)-1-(4-phenylmethoxynaphthalen-1-yl)ethanol 5431-13-0 98%
【Name】
1-[4-(benzyloxy)naphthalen-1-yl]-2-(dibutylamino)ethanol
【CAS Registry number】
5431-13-0
【Molecular Formula】
C27H35NO2 (Products with the same molecular formula)
【Molecular Weight】
405.5723
【Inchi】
InChI=1/C27H35NO2/c1-3-5-18-28(19-6-4-2)20-26(29)24-16-17-27(25-15-11-10-14-23(24)25)30-21-22-12-8-7-9-13-22/h7-17,26,29H,3-6,18-21H2,1-2H3
【Canonical SMILES】
CCCCN(CCCC)CC(C1=CC=C(C2=CC=CC=C21)OCC3=CC=CC=C3)O.[Cl-]
【Isomers smiles】
CCCCN(CCCC)CC(C1=CC=C(C2=CC=CC=C21)OCC3=CC=CC=C3)O.[Cl-]
【MOL File】
5431-13-0.mol
Chemical and Physical Properties
【Density】
1.071g/cm3
【Boiling Point】
565.7°C at 760 mmHg
【Refractive Index】
1.586
【Flash Point】
295.9°C
【Computed Properties】
Molecular Weight:441.0253 [g/mol]
Molecular Formula:C27H35ClNO2-
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:12
Exact Mass:440.235632
MonoIsotopic Mass:440.235632
Topological Polar Surface Area:32.7
Heavy Atom Count:31
Formal Charge:-1
Complexity:442
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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