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| CAS No.: | 3627-62-1 |
|---|---|
| Name: | 1-methyl-4-phenylpiperidine-4-carbonitrile |
| Article Data: | 23 |
| Molecular Structure: | |
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| Formula: | C13H16N2 |
| Molecular Weight: | 200.283 |
| Synonyms: | Isonipecotonitrile,1-methyl-4-phenyl- (6CI,7CI,8CI);1-Methyl-4-cyano-4-phenylpiperidine;1-Methyl-4-phenyl-4-piperidinecarbonitrile;1-Methyl-4-phenylisonipecotonitrile;NSC 28344; |
| EINECS: | 222-847-7 |
| Density: | 1.07 g/cm3 |
| Boiling Point: | 332.5 °C at 760 mmHg |
| Flash Point: | 141 °C |
| PSA: | 27.03000 |
| LogP: | 2.11148 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
The 4-Piperidinecarbonitrile,1-methyl-4-phenyl-, with the CAS registry number 3627-62-1, is also known as 4-cyano-1-methyl-4-phenylpiperidine. Its molecular formula is C13H16N2 and its classification code is DEA Schedule II. Additionally, it has the systematic name 1-methyl-4-phenylpiperidine-4-carbonitrile.
Other characteristics of the 4-Piperidinecarbonitrile,1-methyl-4-phenyl- can be summarised as followings: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.67; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.61; (7)ACD/KOC (pH 5.5): 1.05; (8)ACD/KOC (pH 7.4): 50.19; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 60.95 cm3; (15)Molar Volume: 187.1 cm3; (16)Polarizability: 24.16×10-24cm3; (17)Surface Tension: 45.7 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 141 °C; (20)Enthalpy of Vaporization: 57.53 kJ/mol; (21)Boiling Point: 332.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000145 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#CC2(c1ccccc1)CCN(C)CC2
2.InChI: InChI=1/C13H16N2/c1-15-9-7-13(11-14,8-10-15)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
3.InChIKey: ZLFQTZYFXYOGLS-UHFFFAOYAF