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3-Phenanthrenemethanol,a-[(dibutylamino)methyl]-, hydrochloride(1:1) 5339-92-4 98%
Identification and Related Records
【Name】
3-Phenanthrenemethanol,a-[(dibutylamino)methyl]-, hydrochloride(1:1)
【Iupac name】
2-(dibutylamino)-1-phenanthren-3-ylethanol hydrochloride
【CAS Registry number】
5339-92-4
【Synonyms】
3-Phenanthrenemethanol,a-[(dibutylamino)methyl]-, hydrochloride(8CI)
NSC 3584
【Molecular Formula】
C24H31 N O . Cl H (Products with the same molecular formula)
【Molecular Weight】
349.509
【Inchi】
InChI=1/C24H31NO/c1-3-5-15-25(16-6-4-2)18-24(26)21-14-13-20-12-11-19-9-7-8-10-22(19)23(20)17-21/h7-14,17,24,26H,3-6,15-16,18H2,1-2H3
【Canonical SMILES】
CCCCN(CCCC)CC(C1=CC2=C(C=CC3=CC=CC=C32)C=C1)O.Cl
Chemical and Physical Properties
【Density】
1.065g/cm3
【Boiling Point】
524.9°C at 760 mmHg
【Refractive Index】
1.61
【Flash Point】
207.9°C
【Computed Properties】
Molecular Weight:385.96998 [g/mol]
Molecular Formula:C24H32ClNO
H-Bond Donor:2
H-Bond Acceptor:2
Rotatable Bond Count:9
Exact Mass:385.217242
MonoIsotopic Mass:385.217242
Topological Polar Surface Area:23.5
Heavy Atom Count:27
Formal Charge:0
Complexity:390
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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