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| CAS No.: | 20691-92-3 |
|---|---|
| Name: | 1-METHYL-PIPERIDINE-4-CARBONITRILE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C7H12N2 |
| Molecular Weight: | 124.186 |
| Synonyms: | Isonipecotonitrile,1-methyl- (6CI,8CI);1-Methyl-4-cyanopiperidine;1-Methyl-4-piperidinecarbonitrile;1-Methylisonipecotonitrile;4-Cyano-1-methylpiperidine; |
| Density: | 0.98 g/cm3 |
| Boiling Point: | 210.665 °C at 760 mmHg |
| Flash Point: | 79.381 °C |
| Risk Codes: | 23/24/25-33 |
| Safety: | 28-37-45 |
| PSA: | 27.03000 |
| LogP: | 0.78968 |
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- Total:24 Page 1 of 1 1
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Specification
The 4-Piperidinecarbonitrile,1-methyl-, with the CAS registry number 20691-92-3, is also known as 4-Cyano-1-methyl-piperidine. Its molecular formula is C7H12N2 and its molecular weight is 124.183580. Additionally, it has the IUPAC name 1-methylpiperidine-4-carbonitrile.
Other characteristics of the 4-Piperidinecarbonitrile,1-methyl- can be summarised as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 27.03 Å2; (7)Index of Refraction: 1.483; (8)Molar Refractivity: 36.21 cm3; (9)Molar Volume: 126.73 cm3; (10)Polarizability: 14.355×10-24cm3; (11)Surface Tension: 37.889 dyne/cm; (12)Density: 0.98 g/cm3; (13)Flash Point: 79.381 °C; (14)Enthalpy of Vaporization: 44.695 kJ/mol; (15)Boiling Point: 210.665 °C at 760 mmHg; (16)Vapour Pressure: 0.19 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#CC1CCN(C)CC1
2.InChI: InChI=1/C7H12N2/c1-9-4-2-7(6-8)3-5-9/h7H,2-5H2,1H3
3.InChIKey: HNAKTMSXYZOSTP-UHFFFAOYAA