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2-Butanone,1,1-diphenyl-4-(1-piperidinyl)-, hydrochloride (1:1) 5446-73-1 98%
【Name】
2-Butanone,1,1-diphenyl-4-(1-piperidinyl)-, hydrochloride (1:1)
【CAS Registry number】
5446-73-1
【Synonyms】
2-Butanone,1,1-diphenyl-4-(1-piperidinyl)-, hydrochloride (9CI)
2-Butanone,1,1-diphenyl-4-piperidino-, hydrochloride (6CI,8CI)
【Molecular Formula】
C21H25 N O . Cl H (Products with the same molecular formula)
【Molecular Weight】
307.4293
【Inchi】
InChI=1/C21H25NO/c23-20(14-17-22-15-8-3-9-16-22)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,21H,3,8-9,14-17H2
【Canonical SMILES】
C1CCN(CC1)CCC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
【Isomers smiles】
C1CCN(CC1)CCC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
Chemical and Physical Properties
【Density】
1.06g/cm3
【Boiling Point】
435.2°Cat760mmHg
【Refractive Index】
1.563
【Flash Point】
156.5°C
【Computed Properties】
Molecular Weight:342.8823 [g/mol]
Molecular Formula:C21H25ClNO-
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:6
Tautomer Count:3
Exact Mass:342.162467
MonoIsotopic Mass:342.162467
Topological Polar Surface Area:20.3
Heavy Atom Count:24
Formal Charge:-1
Complexity:331
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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