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2-Quinazolinamine (1687-51-0)

Identification
Name:2-Quinazolinamine
Synonyms:Quinazoline,2-amino- (6CI,7CI,8CI);2-Aminoquinazoline;
CAS:1687-51-0
Molecular Formula: C8H7N3
Molecular Weight: 145.16
InChI: InChI=1/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)
Molecular Structure: (C8H7N3) Quinazoline,2-amino- (6CI,7CI,8CI);2-Aminoquinazoline;
Properties
Density:1.292g/cm3
Refractive index:1.723
Specification:

The 2-Quinazolinamine, with CAS registry number 1687-51-0, belongs to the following product category: Pyrimidine. It has the systematic name of quinazolin-2-amine. Besides this, it is also called 2-Quinazolinamine (9CI). And the chemical formula of this chemical is C8H7N3.

Physical properties of 2-Quinazolinamine: (1)ACD/LogP: 0.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75; (4)ACD/LogD (pH 7.4): 0.84; (5)ACD/BCF (pH 5.5): 2.09; (6)ACD/BCF (pH 7.4): 2.55; (7)ACD/KOC (pH 5.5): 55.65; (8)ACD/KOC (pH 7.4): 68.02; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 44.51 cm3; (15)Molar Volume: 112.2 cm3; (16)Polarizability: 17.64×10-24cm3; (17)Surface Tension: 70.4 dyne/cm; (18)Enthalpy of Vaporization: 61.76 kJ/mol; (19)Vapour Pressure: 1.09E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c1c(cccc1)cnc2N
(2)InChI: InChI=1/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)
(3)InChIKey: CZAAKPFIWJXPQT-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)
(5)Std. InChIKey: CZAAKPFIWJXPQT-UHFFFAOYSA-N

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