CAS No.16566-20-4,QUINOXALIN-5-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16566-20-4
Name:	QUINOXALIN-5-AMINE
Article Data:	15

Formula:	C₈H₇N₃
Molecular Weight:	145.164
Synonyms:	Quinoxaline,5-amino- (6CI,7CI,8CI);5-Aminoquinoxaline;5-Quinoxalinylamine;
Density:	1.292 g/cm³
Melting Point:	92 °C
Boiling Point:	323.7 °C at 760 mmHg
Flash Point:	175.7 °C
PSA:	56.91000
LogP:	1.27568

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Specification

The 5-Quinoxalinamine, with the CAS registry number 16566-20-4, is also known as 5-Amino-quinoxaline. It belongs to the product categories of Amines; Quinolines, Isoquinolines & Quinoxalines; Quinolines, Isoquinolines & Quinoxalines. This chemical's molecular formula is C₈H₇N₃ and molecular weight is 145.16. Its IUPAC name is called quinoxalin-5-amine. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of 5-Quinoxalinamine: (1)ACD/LogP: 1.21; (2)ACD/LogD (pH 5.5): 1.2; (3)ACD/LogD (pH 7.4): 1.2; (4)ACD/BCF (pH 5.5): 4.85; (5)ACD/BCF (pH 7.4): 4.85; (6)ACD/KOC (pH 5.5): 107.69; (7)ACD/KOC (pH 7.4): 107.73; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.723; (12)Molar Refractivity: 44.51 cm³; (13)Molar Volume: 112.2 cm³; (14)Surface Tension: 70.4 dyne/cm; (15)Density: 1.292 g/cm³; (16)Flash Point: 175.7 °C; (17)Enthalpy of Vaporization: 56.57 kJ/mol; (18)Boiling Point: 323.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000257 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=NC=CN=C2C(=C1)N
(2)InChI: InChI=1S/C8H7N3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-5H,9H2
(3)InChIKey: SAAYZFAHJFPOHZ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	600mg/kg (600mg/kg)		Pharmaceutical Chemistry Journal Vol. 12, Pg. 1277, 1978.