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Name	5-Cyanopyrimidine	EINECS	N/A
CAS No.	40805-79-6	Density	1.226 g/cm³
PSA	49.57000	LogP	0.34828
Solubility	N/A	Melting Point	83.5-84 °C(Solv: ethanol (64-17-5))
Formula	C₅H₃N₃	Boiling Point	237.641 °C at 760 mmHg
Molecular Weight	105.1	Flash Point	93.784 °C
Transport Information	N/A	Appearance	N/A
Safety	26-24/25	Risk Codes	36
Molecular Structure		Hazard Symbols	N/A
Synonyms	5-Cyanopyrimidine;	Article Data	18

5-Cyanopyrimidine Specification

The 5-Cyanopyrimidine, with CAS registry number 40805-79-6, belongs to the following product category: Pyrimidine. Its systematic name and its IUPAC name are the same, which is pyrimidine-5-carbonitrile. And the chemical formula of this chemical is C₅H₃N_3.

Physical properties of 5-Cyanopyrimidine: (1)ACD/LogP: -0.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 49.57 Å²; (7)Index of Refraction: 1.541; (8)Molar Refractivity: 26.917 cm³; (9)Molar Volume: 85.713 cm³; (10)Polarizability: 10.671×|10^-24cm³; (11)Surface Tension: 65.802 dyne/cm; (12)Enthalpy of Vaporization: 47.447 kJ/mol; (13)Vapour Pressure: 0.044 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cncnc1
(2)InChI: InChI=1/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
(3)InChIKey: XVIAPHVAGFEFFN-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H3N3/c6-1-5-2-7-4-8-3-5/h2-4H
(5)Std. InChIKey: XVIAPHVAGFEFFN-UHFFFAOYSA-N

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