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9-Phenanthrenemethanol, .alpha.-[(diisopentylamino)methyl]-1,2,3, 4-tetrahydro-, hydrochloride 2-[bis(3-methylbutyl)amino]-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanol 5423-47-2
【Name】
2-[bis(3-methylbutyl)amino]-1-(1,2,3,4-tetrahydrophenanthren-9-yl)ethanol
【Iupac name】
2-[bis(3-methylbutyl)amino]-1-(1,2,3,
4-tetrahydrophenanthren-9-yl)ethanol hydrochloride
【CAS Registry number】
5423-47-2
【Synonyms】
NSC5919
NSC-5919
5423-47-2
【Molecular Formula】
C26H39NO (Products with the same molecular formula)
【Molecular Weight】
381.594
【Inchi】
InChI=1/C26H39NO/c1-19(2)13-15-27(16-14-20(3)4)18-26(28)25-17-21-9-5-6-10-22(21)23-11-7-8-12-24(23)25/h7-8,11-12,17,19-20,26,28H,5-6,9-10,13-16,18H2,1-4H3
【Canonical SMILES】
CC(C)CCN(CCC(C)C)CC(C1=CC2=C(CCCC2)C3=CC=CC=C31)O.Cl
【MOL File】
5423-47-2.mol
Chemical and Physical Properties
【Density】
1.018g/cm3
【Boiling Point】
535.1°C at 760 mmHg
【Refractive Index】
1.564
【Flash Point】
212.5°C
【Computed Properties】
Molecular Weight:418.0549 [g/mol]
Molecular Formula:C26H40ClNO
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:9
Exact Mass:417.279843
MonoIsotopic Mass:417.279843
Topological Polar Surface Area:23.5
Heavy Atom Count:29
Formal Charge:0
Complexity:436
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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