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Pyrimidine,4-(4-piperidinyl)- (954220-47-4)

Identification
Name:Pyrimidine,4-(4-piperidinyl)-
Synonyms:4-(Piperidin-4-yl)pyrimidine;
CAS:954220-47-4
Molecular Formula: C9H13N3
Molecular Weight: 163.22
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
Molecular Structure: (C9H13N3) 4-(Piperidin-4-yl)pyrimidine;
Properties
Density:1.065 g/cm3
Refractive index:1.526
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

Safety Data