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101421-73-2

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Basic Information
CAS No.: 101421-73-2
Name: 7-Quinazolinamine (9CI)
Article Data: 4
Molecular Structure:
Molecular Structure of 101421-73-2 (7-Quinazolinamine (9CI))
Formula: C8H7N3
Molecular Weight: 145.16128
Synonyms: Quinazoline,7-amino- (6CI);7-Aminoquinazoline;
Density: 1.293g/cm3
Melting Point: 190-191 °C(Solv: benzene (71-43-2))
Boiling Point: 335.935 °C at 760 mmHg
Flash Point: 183.492 °C
PSA: 51.80000
LogP: 1.79320
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Specification

The 7-Quinazolinamine, with CAS registry number 101421-73-2, belongs to the following product category: Pyrimidine. It has the systematic name of quinazolin-7-amine. Besides this, it is also called 7-Quinazolinamine (9CI). Its molecular weight is 145.16128. And the chemical formula of this chemical is C8H7N3.

Physical properties of 7-Quinazolinamine: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14; (8)ACD/KOC (pH 7.4): 15; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.724; (14)Molar Refractivity: 44.514 cm3; (15)Molar Volume: 112.277 cm3; (16)Polarizability: 17.647×10-24cm3; (17)Surface Tension: 70.41 dyne/cm; (18)Density: 1.293 g/cm3; (19)Flash Point: 183.492 °C; (20)Enthalpy of Vaporization: 57.904 kJ/mol; (21)Boiling Point: 335.935 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc2cncnc2c1
(2)InChI: InChI=1/C8H7N3/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-5H,9H2
(3)InChIKey: JBFKTGKPNDZSPY-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C8H7N3/c9-7-2-1-6-4-10-5-11-8(6)3-7/h1-5H,9H2
(5)Std. InChIKey: JBFKTGKPNDZSPY-UHFFFAOYSA-N