2-Propen-1-one,3-phenyl-1-(1-piperazinyl)-(CAS No. 55486-27-6) CAS NO.55486-27-6

Min.Order Quantity:: 1 Gram

Purity:: 99%

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Product Details

Keywords

2-Propen-1-one,3-phenyl-1-(1-piperazinyl)-
55486-27-6
98%

Quick Details

ProName: 2-Propen-1-one,3-phenyl-1-(1-piperazin...
CasNo: 55486-27-6
Molecular Formula: C13H16 N2 O
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: according to client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram

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Details

【name】
2-propen-1-one,3-phenyl-1-(1-piperazinyl)-
【iupac name】
(e)-3-phenyl-1-piperazin-1-ylprop-2-en-1-one
【cas registry number】
55486-27-6
【synonyms】
piperazine,1-(1-oxo-3-phenyl-2-propenyl)- (9ci)
piperazine, 1-cinnamoyl- (6ci)
1-cinnamoylpiperazine
nsc 133368
【molecular formula】
c13h16 n2 o (products with the same molecular formula)
【molecular weight】
216.28
【inchi】
inchi=1s/c13h16n2o/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h1-7,14h,8-11h2/b7-6+
【canonical smiles】
c1cn(ccn1)c(=o)c=cc2=cc=cc=c2
【isomers smiles】
c1cn(ccn1)c(=o)/c=c/c2=cc=cc=c2
【mol file】
55486-27-6.mol
chemical and physical properties
【density】
1.116 g/cm3
【boiling point】
420.5 °c at 760 mmhg
【flash point】
208.1 °c
【computed properties】
molecular weight:216.27894 [g/mol]
molecular formula:c13h16n2o
xlogp3:1.2
h-bond donor:1
h-bond acceptor:2
rotatable bond count:2
exact mass:216.126263
monoisotopic mass:216.126263
topological polar surface area:32.3
heavy atom count:16
formal charge:0
complexity:251
isotope atom count:0
defined atom stereocenter count:0
undefined atom stereocenter count:0
defined bond stereocenter count:1
undefined bond stereocenter count:0
covalently-bonded unit count:1
feature 3d acceptor count:1
feature 3d donor count:1
feature 3d cation count:1
feature 3d ring count:2
effective rotor count:4.2
conformer sampling rmsd:0.6
cid conformer count:11