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889877-77-4

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Basic Information
CAS No.: 889877-77-4
Name: (R)-2-chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one
Article Data: 9
Molecular Structure:
Molecular Structure of 889877-77-4 ((R)-2-chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one)
Formula: C11H15ClN4O
Molecular Weight: 254.72
Synonyms: (R)-2-Chloro-7-ethyl-8-isopropyl-7,8-dihydro-5H-pteridin-6-one
Density: 1.225 g/cm3
Boiling Point: 465.668 °C at 760 mmHg
Flash Point: 235.428 °C
PSA: 61.61000
LogP: 2.22560
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Specification

The (7R)-2-Chloro-7-ethyl-7,8-dihydro-8-(1-methylethyl)-6(5H)-pteridinone, with the CAS registry number 889877-77-4, has molecular formula C11H15ClN4O. In addition, its formula weight is 254.72. What's more, its systematic name is called (7R)-2-chloro-7-ethyl-8-(propan-2-yl)-7,8-dihydropteridin-6(5H)-one.

Physical properties of (7R)-2-Chloro-7-ethyl-7,8-dihydro-8-(1-methylethyl)-6(5H)-pteridinone: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.539; (7)Molar Refractivity: 65.129 cm3; (8)Molar Volume: 207.936 cm3; (9)Surface Tension: 44.385 dyne/cm; (10)Density: 1.225 g/cm3; (11)Flash Point: 235.428 °C; (12)Enthalpy of Vaporization: 72.732 kJ/mol; (13)Boiling Point: 465.668 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncc2c(n1)N([C@@H](C(=O)N2)CC)C(C)C
(2)InChI: InChI=1/C11H15ClN4O/c1-4-8-10(17)14-7-5-13-11(12)15-9(7)16(8)6(2)3/h5-6,8H,4H2,1-3H3,(H,14,17)/t8-/m1/s1
(3)InChIKey: HZKCDOWKVNPXCW-MRVPVSSYBZ