CAS No.59870-43-8,2-CHLOROQUINAZOLIN-4-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	59870-43-8
Name:	2-CHLOROQUINAZOLIN-4-AMINE
Article Data:	12

Formula:	C₈H₆ClN₃
Molecular Weight:	179.609
Synonyms:	2-Chloro-4-aminoquinazoline;2-Chloroquinazolin-4-amine;2-Chloroquinazolin-4-ylamine;4-Amino-2-chloroquinazoline;NSC 75185;
Density:	1.445g/cm³
Boiling Point:	313.6 °C at 760 mmHg
Flash Point:	143.5 °C
PSA:	51.80000
LogP:	2.44660

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Specification

The 4-Quinazolinamine,2-chloro-, with CAS registry number 59870-43-8, has the systematic name of 2-chloroquinazolin-4-amine. Besides this, it is also called 2-Chloro-quinazolin-4-ylamine. And the chemical formula of this chemical is C₈H₆ClN₃.

Physical properties of 4-Quinazolinamine,2-chloro-: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.67; (6)ACD/BCF (pH 7.4): 13.74; (7)ACD/KOC (pH 5.5): 225.92; (8)ACD/KOC (pH 7.4): 227.07; (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: 1.726; (14)Molar Refractivity: 49.4 cm³; (15)Molar Volume: 124.2 cm³; (16)Polarizability: 19.58×10^-24cm³; (17)Surface Tension: 71.3 dyne/cm; (18)Density: 1.445 g/cm³; (19)Flash Point: 143.5 °C; (20)Enthalpy of Vaporization: 55.47 kJ/mol; (21)Boiling Point: 313.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00049 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc1c(cccc1)c(n2)N
(2)InChI: InChI=1/C8H6ClN3/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4H,(H2,10,11,12)
(3)InChIKey: YPNGRZOYTLZRBD-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H6ClN3/c9-8-11-6-4-2-1-3-5(6)7(10)12-8/h1-4H,(H2,10,11,12)
(5)Std. InChIKey: YPNGRZOYTLZRBD-UHFFFAOYSA-N