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| CAS No.: | 62718-31-4 |
|---|---|
| Name: | 1-BENZYLPIPERIDINE-4-CARBONITRILE |
| Article Data: | 14 |
| Molecular Structure: | |
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| Formula: | C13H16N2 |
| Molecular Weight: | 200.283 |
| Synonyms: | 查看更多英文别名"> N-benzylpiperidine-4-carbonitrile;N-benzyl-4-phenylpiperidine;1-(phenylmethyl)-4-piperidinecarbonitrile;1-Benzyl-4-phenyl-piperidin;1-benzyl-piperidine-4-carbonitrile;1-benzyl-4-piperidine carbonitrile;1-benzyl-4-cyano-piperidine;1-benzyl-4-phenyl-piperidine;查看更多英文别名 |
| Density: | 1.06 g/cm3 |
| Boiling Point: | 330.3 °C at 760 mmHg |
| Flash Point: | 139.6 °C |
| PSA: | 27.03000 |
| LogP: | 2.36008 |
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Specification
The 1-Benzyl-4-cyanopiperidine is an organic compound with the formula C13H16N2. The systematic name of this chemical is 1-benzylpiperidine-4-carbonitrile. With the CAS registry number 62718-31-4, it is also named as 4-Piperidinecarbonitrile, 1-(phenylmethyl)-.
Physical properties about 1-Benzyl-4-cyanopiperidine are: (1)ACD/LogP: 1.58; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 27.03 Å2; (5)Index of Refraction: 1.563; (6)Molar Refractivity: 60.92 cm3; (7)Molar Volume: 187.3 cm3; (8)Polarizability: 24.15×10-24cm3; (9)Surface Tension: 46.1 dyne/cm; (10)Density: 1.06 g/cm3; (11)Flash Point: 139.6 °C; (12)Enthalpy of Vaporization: 57.28 kJ/mol; (13)Boiling Point: 330.3 °C at 760 mmHg; (14)Vapour Pressure: 0.000168 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC2CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C13H16N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2
(3)InChIKey: CKJUFUGVCGDYHH-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C13H16N2/c14-10-12-6-8-15(9-7-12)11-13-4-2-1-3-5-13/h1-5,12H,6-9,11H2
(5)Std. InChIKey: CKJUFUGVCGDYHH-UHFFFAOYSA-N