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CAS No.: | 19134-50-0 |
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Name: | 1-phenyl-2-pyrrolidin-1-yl-propan-1-one |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C13H17NO |
Molecular Weight: | 203.284 |
Synonyms: | Propiophenone,2-(1-pyrrolidinyl)- (6CI,7CI,8CI);a-Pyrrolidinopropiophenone; |
Density: | 1.063 g/cm3 |
Boiling Point: | 309.708 °C at 760 mmHg |
Flash Point: | 110.565 °C |
PSA: | 20.31000 |
LogP: | 2.29150 |
The 1-Phenyl-2-pyrrolidin-1-ylpropan-1-one with its cas register number is 19134-50-0. It also can be called as 1-Propanone, 1-phenyl-2-(1-pyrrolidinyl)- and the IUPAC Name about this chemical is 1-phenyl-2-pyrrolidin-1-ylpropan-1-one.
Physical properties about 1-Phenyl-2-pyrrolidin-1-ylpropan-1-one are: (1)ACD/LogP: 2.59 ; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 20.31Å2; (5)Index of Refraction: 1.548; (6)Molar Refractivity: 60.84 cm3; (7)Molar Volume: 191.3 cm3; (8)Polarizability: 24.12x10-24cm3; (9)Surface Tension: 40.9 dyne/cm; (10)Enthalpy of Vaporization: 55.05 kJ/mol; (11)Vapour Pressure: 0.000628 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C(=O)C1=CC=CC=C1)N2CCCC2
(2)InChI: InChI=1S/C13H17NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
(3)InChIKey: KPUJAQRFIJAORQ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LDLo | intravenous | 92mg/kg (92mg/kg) | United States Patent Document. Vol. #3001910, | |
mouse | LDLo | subcutaneous | 455mg/kg (455mg/kg) | United States Patent Document. Vol. #3001910, |