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1092352-55-0

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Basic Information
CAS No.: 1092352-55-0
Name: tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Article Data: 4
Molecular Structure:
Molecular Structure of 1092352-55-0 (tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate)
Formula: C12H16ClN3O2
Molecular Weight: 269.73
Synonyms: Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 2-chloro-7,8-dihydro-, 1,1-dimethylethyl ester;
Density: 1.266 g/cm3
Boiling Point: 418.6 °C at 760 mmHg
Flash Point: 206.9 °C
PSA: 55.32000
LogP: 2.36110
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Specification

The CAS registry number of tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate is 1092352-55-0. In addition, the molecular formula is C12H16ClN3O2 and the molecular weight is 269.73. The IUPAC name is tert-butyl 2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate. What's more, it belongs to the class of Chiral Chemicals and should be stored in a cool and dry place.

Physical properties about tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)#H bond acceptors: 5; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 55.32 Å2; (9)Index of Refraction: 1.55; (10)Molar Refractivity: 67.88 cm3; (11)Molar Volume: 212.9 cm3; (12)Polarizability: 26.91 ×10-24cm3; (13)Surface Tension: 51 dyne/cm; (14)Density: 1.266 g/cm3; (15)Flash Point: 206.9 °C; (16)Enthalpy of Vaporization: 67.21 kJ/mol; (17)Boiling Point: 418.6 °C at 760 mmHg; (18)Vapour Pressure: 3.25E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCc2c(cnc(n2)Cl)C1
(2)InChI: InChI=1/C12H16ClN3O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)6-14-10(13)15-9/h6H,4-5,7H2,1-3H3
(3)InChIKey: HBEISXKDRDAGOU-UHFFFAOYAB