4-Piperidinecarbonitrile,1-methyl- supplier

Name
1-METHYL-PIPERIDINE-4-CARBONITRILE
EINECS
CAS No. 20691-92-3
Article Data8
CAS DataBase
Density 0.98 g/cm³
Solubility
Melting Point
Formula C₇H₁₂N₂
Boiling Point 210.665 °C at 760 mmHg
Molecular Weight 124.186
Flash Point 79.381 °C
Transport Information
Appearance
Safety 28-37-45
Risk Codes 23/24/25-33
Molecular Structure
Hazard Symbols
Synonyms Isonipecotonitrile,1-methyl- (6CI,8CI);1-Methyl-4-cyanopiperidine;1-Methyl-4-piperidinecarbonitrile;1-Methylisonipecotonitrile;4-Cyano-1-methylpiperidine;
PSA 27.03000
LogP 0.78968

4-Piperidinecarbonitrile,1-methyl- 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 C₇H₁₂N₂and 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

Product Name

1-METHYL-PIPERIDINE-4-CARBONITRILE

4-Piperidinecarbonitrile,1-methyl- Specification

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