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887582-84-5

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Basic Information
CAS No.: 887582-84-5
Name: 3-(2-chloroethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Molecular Structure:
Molecular Structure of 887582-84-5 (3-(2-chloroethyl)-4H-pyrido[1,2-a]pyrimidin-4-one)
Formula: C10H9ClN2O
Molecular Weight: 208.64
Synonyms: 3-(2-Chloroethyl)-4H-pyrido[1,2-a]pyrimidin-4-one;
Density: 1.31 g/cm3
Melting Point: 109-111 °C
Boiling Point: 341.5 °C at 760 mmHg
Flash Point: 160.3 °C
PSA: 34.37000
LogP: 1.47580
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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:white to yellow crystal powder Storage:Room temperature with sealed well Package:according to the clients requirement Applicatio

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  • 3-(2-chloroethyl)-4H-pyrido[1,2-a]pyrimidin-4-one

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Specification

The 3-(2-Chloroethyl)-4H-pyrido[1,2-a]pyrimidin-4-one with the cas number 887582-84-5 is also called 4H-Pyrido[1,2-a]pyrimidin-4-one,3-(2-chloroethyl)-. Its molecular formula is C10H9ClN2O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 32.67 Å2; (7)Index of Refraction: 1.623; (8)Molar Refractivity: 55.99 cm3; (9)Molar Volume: 158.6 cm3; (10)Polarizability: 22.19×10-24cm3; (11)Surface Tension: 48.7 dyne/cm; (12)Enthalpy of Vaporization: 58.52 kJ/mol; (13)Vapour Pressure: 8×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCC\1=C\N=C2\C=C/C=C\N2C/1=O
(2)InChI: InChI=1/C10H9ClN2O/c11-5-4-8-7-12-9-3-1-2-6-13(9)10(8)14/h1-3,6-7H,4-5H2
(3)InChIKey: QCYFMWQTOLAYBC-UHFFFAOYAZ