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1,6-Naphthyridin-4-amine (28593-08-0)

Identification
Name:1,6-Naphthyridin-4-amine
Synonyms:1,6-Naphthyridine,4-amino- (8CI); 4-Amino-1,6-naphthyridine
CAS:28593-08-0
Molecular Formula: C8H7 N3
Molecular Weight: 145.16
InChI: InChI=1/C8H7N3/c9-7-1-4-11-8-2-3-10-5-6(7)8/h1-5H,(H2,9,11)
Molecular Structure: (C8H7N3) 1,6-Naphthyridine,4-amino- (8CI); 4-Amino-1,6-naphthyridine
Properties
Flash Point: 207.3°C
Boiling Point: 373.2°C at 760 mmHg
Density:1.292g/cm3
Refractive index:1.723
Specification:

The 4-Amino-1,6-naphthyridine, with CAS registry number 28593-08-0, has the systematic name of 1,6-naphthyridin-4-amine. And the  chemical formula of this chemical is C8H7N3. And its molecular weight is 145.16.

Physical properties of 4-Amino-1,6-naphthyridine: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.94; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 8.33; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (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: 62.04 kJ/mol; (19)Vapour Pressure: 9.14E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccc(c2c1ccnc2)N
(2)InChI: InChI=1/C8H7N3/c9-7-1-4-11-8-2-3-10-5-6(7)8/h1-5H,(H2,9,11)
(3)InChIKey: XQOHGKZCTXPHMB-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H7N3/c9-7-1-4-11-8-2-3-10-5-6(7)8/h1-5H,(H2,9,11)
(5)Std. InChIKey: XQOHGKZCTXPHMB-UHFFFAOYSA-N

Flash Point: 207.3°C
Safety Data
 

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