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63590-63-6

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Basic Information
CAS No.: 63590-63-6
Name: 2-Chloro-6-methoxyquinazolin-4-amine
Molecular Structure:
Molecular Structure of 63590-63-6 (2-Chloro-6-methoxyquinazolin-4-amine)
Formula: C9H8ClN3O
Molecular Weight: 209.6323
Synonyms: 2-CHLORO-6-METHOXYQUINAZOLIN-4-AMINE
Density: 1.414 g/cm3
Boiling Point: 274.8 °C at 760 mmHg
Flash Point: 120 °C
PSA: 61.76000
LogP: 1.80410
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Specification

The 2-Chloro-6-methoxyquinazolin-4-amine has CAS registry number 63590-63-6. This chemical's molecular formula is C9H8ClN3O and molecular weight is 209.6323. What's more, its systematic name is 2-Chloro-6-methoxyquinazolin-4-amine.

Physical properties about 2-Chloro-6-methoxyquinazolin-4-amine are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.71; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.83; (6)ACD/BCF (pH 7.4): 11.85; (7)ACD/KOC (pH 5.5): 203.88; (8)ACD/KOC (pH 7.4): 204.24; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.03 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 56.08 cm3; (15)Molar Volume: 148.2 cm3; (16)Polarizability: 22.23×10-24 cm3; (17)Surface Tension: 63 dyne/cm; (18)Density: 1.414 g/cm3; (19)Flash Point: 120 °C; (20)Enthalpy of Vaporization: 51.32 kJ/mol; (21)Boiling Point: 274.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00529 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc2nc(Cl)nc1ccc(cc12)OC
(2) InChI: InChI=1/C9H8ClN3O/c1-14-5-2-3-7-6(4-5)8(11)13-9(10)12-7/h2-4H,1H3,(H2,11,12,13)
(3) InChIKey: VUCVIJNMHJDGES-UHFFFAOYAS