Benzonitrile,4-(1-piperidinyl)- supplier

Name
4-PIPERIDIN-1-YL-BENZONITRILE
EINECS
CAS No. 1204-85-9
Article Data49
CAS DataBase
Density 1.09 g/cm³
Solubility
Melting Point 51 °C
Formula C₁₂H₁₄N₂
Boiling Point 349.9 °C at 760 mmHg
Molecular Weight 186.257
Flash Point 155.4 °C
Transport Information
Appearance
Safety
Risk Codes Harmful:;
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile,p-piperidino- (7CI,8CI);1-(p-Cyanophenyl)piperidine;4-(1-Piperidinyl)benzonitrile;4-Piperidinobenzonitrile;N-(4-Cyanophenyl)piperidine;p-Piperidinobenzonitrile;
PSA 27.03000
LogP 2.61358

Benzonitrile,4-(1-piperidinyl)- Specification

The Benzonitrile,4-(1-piperidinyl)-, with its CAS registry number 1204-85-9, has the systematic name of 4-(piperidin-1-yl)benzonitrile. With the molecular foumula of C₁₂H₁₄N₂, its formula weight is 186.25.

The characteristics of Benzonitrile,4-(1-piperidinyl)- are as follows: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 27.03 Å²; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 56.3 cm³; (9)Molar Volume: 169.8 cm³; (10)Polarizability: 22.32×10^-24cm³; (11)Surface Tension: 48.5 dyne/cm; (12)Density: 1.09 g/cm³; (13)Flash Point: 155.4 °C ; (14)Enthalpy of Vaporization: 59.44 kJ/mol; (15)Boiling Point: 349.9 °C at 760 mmHg; (16)Vapour Pressure: 4.56E-05 mmHg at 25°C.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:N#Cc1ccc(cc1)N2CCCCC2
(2)InChI:InChI=1/C12H14N2/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
(3)InChIKey:ZEPXHFFGXQFUDP-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C12H14N2/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
(5)Std. InChIKey:ZEPXHFFGXQFUDP-UHFFFAOYSA-N

Product Name

4-PIPERIDIN-1-YL-BENZONITRILE

Benzonitrile,4-(1-piperidinyl)- Specification

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