1-(4-Chloro-pyrimidin-2-yl)-4-piperidinamine supplier

Name
1-(4-Chloro-pyrimidin-2-yl)-4-piperidinamine
EINECS
CAS No. 596818-00-7
Density 1.268 g/cm³
Solubility
Melting Point
Formula C₉H₁₃ClN₄
Boiling Point 374.1 °C at 760 mmHg
Molecular Weight 212.68
Flash Point 180 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Chloropyrimidin-2-yl)piperidin-4-amine;4-piperidinamine, 1-(4-chloro-2-pyrimidinyl)-;1-(4-Chloro-pyrimidin-2-yl)-4-piperidinamine;
PSA 55.04000
LogP 1.82280

1-(4-Chloro-pyrimidin-2-yl)-4-piperidinamine Specification

The 1-(4-Chloro-pyrimidin-2-yl)-4-piperidinamine, with the CAS registry number 596818-00-7, has the systematic name of 1-(4-chloropyrimidin-2-yl)piperidin-4-amine. And the molecular formula of the chemical is C₉H₁₃ClN₄.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 55.04 Å²; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 55.69 cm³; (9)Molar Volume: 167.6 cm³; (10)Polarizability: 22.08×10^-24cm³; (11)Surface Tension: 55 dyne/cm; (12)Density: 1.268 g/cm³; (13)Flash Point: 180 °C; (14)Enthalpy of Vaporization: 62.14 kJ/mol; (15)Boiling Point: 374.1 °C at 760 mmHg; (16)Vapour Pressure: 8.57E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cnc(nc1Cl)N2CCC(CC2)N
(2)InChI: InChI=1/C9H13ClN4/c10-8-1-4-12-9(13-8)14-5-2-7(11)3-6-14/h1,4,7H,2-3,5-6,11H2
(3)InChIKey: TWQNYALLXKLRFY-UHFFFAOYAF

Product Name

1-(4-Chloro-pyrimidin-2-yl)-4-piperidinamine

1-(4-Chloro-pyrimidin-2-yl)-4-piperidinamine Specification

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