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(7R)-2-Chloro-7-ethyl-7,8-dihydro-8-(1-methylethyl)-6(5H)-pteridinone

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Name

(7R)-2-Chloro-7-ethyl-7,8-dihydro-8-(1-methylethyl)-6(5H)-pteridinone

EINECS N/A
CAS No. 889877-77-4 Density 1.225 g/cm3
PSA 61.61000 LogP 2.22560
Solubility N/A Melting Point N/A
Formula C11H15ClN4O Boiling Point 465.668 °C at 760 mmHg
Molecular Weight 254.72 Flash Point 235.428 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 889877-77-4 ((R)-2-chloro-7-ethyl-8-isopropyl-7,8-dihydropteridin-6(5H)-one) Hazard Symbols N/A
Synonyms

(R)-2-Chloro-7-ethyl-8-isopropyl-7,8-dihydro-5H-pteridin-6-one

Article Data 9

(7R)-2-Chloro-7-ethyl-7,8-dihydro-8-(1-methylethyl)-6(5H)-pteridinone 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

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