Pyrimidine,2-chloro-4-(1-piperidinyl)- supplier

Name
2-CHLORO-4-PIPERIDIN-1-YL-PYRIMIDINE
EINECS
CAS No. 5429-00-5
Article Data1
CAS DataBase
Density 1.235 g/cm³
Solubility
Melting Point
Formula C₉H₁₂ClN₃
Boiling Point 360.642 °C at 760 mmHg
Molecular Weight 197.667
Flash Point 171.91 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-4-piperidino-pyrimidine;
PSA 29.02000
LogP 2.18530

Pyrimidine,2-chloro-4-(1-piperidinyl)- Specification

The Pyrimidine,2-chloro-4-(1-piperidinyl)-, with the CAS registry number 5429-00-5, is also known as 2-Chloro-4-piperidino-pyrimidine. It belongs to the product categories of Halides; Pyrazines, Pyrimidines & Pyridazines. This chemical's molecular formula is C₉H₁₂ClN₃ and molecular weight is 197.66. What's more, both its IUPAC name and systematic name are the same which is called 2-Chloro-4-(piperidin-1-yl)pyrimidine.

Physical properties about Pyrimidine,2-chloro-4-(1-piperidinyl)- are: (1)ACD/LogP: 1.99; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.986; (5)ACD/BCF (pH 5.5): 16.733; (6)ACD/BCF (pH 7.4): 19.023; (7)ACD/KOC (pH 5.5): 251.994; (8)ACD/KOC (pH 7.4): 286.494; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 52.147 cm³; (15)Molar Volume: 160.099 cm³; (16)Surface Tension: 51.567 dyne/cm; (17)Density: 1.235 g/cm³; (18)Flash Point: 171.91 °C; (19)Enthalpy of Vaporization: 60.638 kJ/mol; (20)Boiling Point: 360.642 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc(nc1N2CCCCC2)Cl
(2) InChI: InChI=1/C9H12ClN3/c10-9-11-5-4-8(12-9)13-6-2-1-3-7-13/h4-5H,1-3,6-7H2
(3) InChIKey: KYWPHKLNTWDUPZ-UHFFFAOYAN

Product Name

2-CHLORO-4-PIPERIDIN-1-YL-PYRIMIDINE

Pyrimidine,2-chloro-4-(1-piperidinyl)- Specification

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