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901303-38-6

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Basic Information
CAS No.: 901303-38-6
Name: 2-chloro-5-phenyl-4-(piperidin-1-yl)pyrimidine
Molecular Structure:
Molecular Structure of 901303-38-6 (2-chloro-5-phenyl-4-(piperidin-1-yl)pyrimidine)
Formula: C15H16ClN3
Molecular Weight: 273.76064
Synonyms: 2-chloro-5-phenyl-4-(piperidin-1-yl)pyrimidine
Density: 1.215 g/cm3
Boiling Point: 475.525 °C at 760 mmHg
Flash Point: 241.389 °C
PSA: 29.02000
LogP: 3.85230
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Specification

The Pyrimidine, 2-chloro-5-phenyl-4-(1-piperidinyl)-, with CAS registry number 901303-38-6, has the systematic name of 2-chloro-5-phenyl-4-(1-piperidyl)pyrimidine. And its IUPAC name is  2-chloro-5-phenyl-4-piperidin-1-ylpyrimidine. The chemical formula of this chemical is C15H16ClN3. 

Physical properties of Pyrimidine, 2-chloro-5-phenyl-4-(1-piperidinyl)-: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.255; (4)ACD/LogD (pH 7.4): 3.287; (5)ACD/BCF (pH 5.5): 172.204; (6)ACD/BCF (pH 7.4): 185.325; (7)ACD/KOC (pH 5.5): 1358.265; (8)ACD/KOC (pH 7.4): 1461.754; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 76.739 cm3; (15)Molar Volume: 225.384 cm3; (16)Polarizability: 30.422×10-24cm3; (17)Surface Tension: 50.586 dyne/cm; (18)Enthalpy of Vaporization: 73.906 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)c2cnc(nc2N3CCCCC3)Cl
(2)InChI: InChI=1/C15H16ClN3/c16-15-17-11-13(12-7-3-1-4-8-12)14(18-15)19-9-5-2-6-10-19/h1,3-4,7-8,11H,2,5-6,9-10H2
(3)InChIKey: LRDBWBNBBGXZHK-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C15H16ClN3/c16-15-17-11-13(12-7-3-1-4-8-12)14(18-15)19-9-5-2-6-10-19/h1,3-4,7-8,11H,2,5-6,9-10H2
(5)Std. InChIKey: LRDBWBNBBGXZHK-UHFFFAOYSA-N