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| CAS No.: | 73-63-2 |
|---|---|
| Name: | 3-(1-Piperidinyl)propiophenone HCl |
| Molecular Structure: | |
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| Formula: | C14H19NO |
| Molecular Weight: | 217.311 |
| Synonyms: | Propiophenone,3-piperidino- (6CI,7CI,8CI);1-Phenyl-3-piperidinopropan-1-one;3-Piperidino-1-phenylpropan-1-one;3-Piperidinopropiophenone;N-(b-Benzoylethyl)piperidine;NA 65;NSC 5755;b-Piperidinopropiophenone; |
| Density: | 1.029 g/cm3 |
| Melting Point: | 192-193 °C |
| Boiling Point: | 345.4 °C at 760 mmHg |
| Flash Point: | 127.1 °C |
| PSA: | 20.31000 |
| LogP: | 2.68320 |
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Specification
The 3-(1-Piperidinyl)propiophenone hydrochloride with its cas register number is 73-63-2. It also can be called as Piperidine, 1-(2-benzoylethyl)- and the IUPAC Name about this chemical is 1-phenyl-3-piperidin-1-ylpropan-1-one.
Physical properties about 3-(1-Piperidinyl)propiophenone hydrochloride are: (1)ACD/LogP: 3.00; (2)ACD/LogD (pH 5.5): 0.06; (3)ACD/LogD (pH 7.4): 1.44; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.08; (6)ACD/KOC (pH 5.5): 1.17; (7)ACD/KOC (pH 7.4): 27.97; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 20.31Å2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 65.55 cm3; (13)Molar Volume: 211 cm3; (14)Polarizability: 25.98x10-24cm3; (15)Surface Tension: 38.6 dyne/cm; (16)Enthalpy of Vaporization: 58.94 kJ/mol Vapour Pressure: 6.19E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCN(CC1)CCC(=O)C2=CC=CC=C2
(2)InChI: InChI=1S/C14H19NO/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-8H,2,5-6,9-12H2
(3)InChIKey: BIBARRYXKABQKJ-UHFFFAOYSA-N