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4-(Piperidin-4-yl)pyrimidine

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Name

4-(Piperidin-4-yl)pyrimidine

EINECS N/A
CAS No. 954220-47-4 Density 1.065 g/cm3
PSA 37.81000 LogP 1.27240
Solubility N/A Melting Point N/A
Formula C9H13N3 Boiling Point 294.3 °C at 760 mmHg
Molecular Weight 163.222 Flash Point 131.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 954220-47-4 (4-piperidin-4-ylpyrimidine) Hazard Symbols N/A
Synonyms

4-(Piperidin-4-yl)pyrimidine;

 

4-(Piperidin-4-yl)pyrimidine Specification

The 4-(Piperidin-4-yl)pyrimidine with the cas number 954220-47-4 is also called Pyrimidine,4-(4-piperidinyl)-. Its molecular formula is C9H13N3. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 37.81 Å2; (10)Index of Refraction: 1.526; (11)Molar Refractivity: 47.03 cm3; (12)Molar Volume: 153.1 cm3; (13)Polarizability: 18.64×10-24cm3; (14)Surface Tension: 44.1 dyne/cm; (15)Enthalpy of Vaporization: 53.39 kJ/mol; (16)Vapour Pressure: 0.00164 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1nc(ccn1)C2CCNCC2
(2)InChI: InChI=1/C9H13N3/c1-4-10-5-2-8(1)9-3-6-11-7-12-9/h3,6-8,10H,1-2,4-5H2
(3)InChIKey: NXWUMAKDYWLFIS-UHFFFAOYAM

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