6-Chloro-N-ethylpyrimidin-4-amine supplier

Name
6-Chloro-N-ethylpyrimidin-4-amine
EINECS
CAS No. 872511-30-3
Article Data7
CAS DataBase
Density 1.273 g/cm³
Solubility
Melting Point
Formula C₆H₈ClN₃
Boiling Point 289.7 °C at 760 mmHg
Molecular Weight 157.603
Flash Point 129 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms N-(6-Chloropyrimidin-4-yl)ethylamine;
PSA 37.81000
LogP 1.63480

6-Chloro-N-ethylpyrimidin-4-amine Specification

The 6-Chloro-N-ethylpyrimidin-4-amine is an organic compound with the formula C₆H₈ClN₃. The IUPAC name of this chemical is 6-chloro-N-ethylpyrimidin-4-amine. With the CAS registry number 872511-30-3, it is also named as 4-Chloro-6-(ethylamino)pyrimidine. The product's categories are Azoles; Blocks; Pyridines.

Physical properties about 6-Chloro-N-ethylpyrimidin-4-amine are: (1)ACD/LogP: 0.91; (2)ACD/LogD (pH 5.5): 0.91; (3)ACD/LogD (pH 7.4): 0.91; (4)ACD/BCF (pH 5.5): 2.9; (5)ACD/BCF (pH 7.4): 2.9; (6)ACD/KOC (pH 5.5): 74.58; (7)ACD/KOC (pH 7.4): 74.64; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.02 Å²; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 41.57 cm³; (14)Molar Volume: 123.7 cm³; (15)Polarizability: 16.48×10^-24cm³; (16)Surface Tension: 50.5 dyne/cm; (17)Density: 1.273 g/cm³; (18)Flash Point: 129 °C; (19)Enthalpy of Vaporization: 52.9 kJ/mol; (20)Boiling Point: 289.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00217 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncnc(NCC)c1
(2)InChI: InChI=1/C6H8ClN3/c1-2-8-6-3-5(7)9-4-10-6/h3-4H,2H2,1H3,(H,8,9,10)
(3)InChIKey: PCOIHHDNCUROLX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C6H8ClN3/c1-2-8-6-3-5(7)9-4-10-6/h3-4H,2H2,1H3,(H,8,9,10)
(5)Std. InChIKey: PCOIHHDNCUROLX-UHFFFAOYSA-N

Product Name

6-Chloro-N-ethylpyrimidin-4-amine

6-Chloro-N-ethylpyrimidin-4-amine Specification

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