CAS No.102072-84-4,PHTHALAZIN-5-AMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102072-84-4
Name:	PHTHALAZIN-5-AMINE
Article Data:	6

Formula:	C₈H₇N₃
Molecular Weight:	145.164
Synonyms:	5-Aminophthalazine;Phthalazin-5-ylamine;
Density:	1.292 g/cm³
Melting Point:	223-224 °C(Solv: methanol (67-56-1))
Boiling Point:	423.2 °C at 760 mmHg
Flash Point:	239.3 °C
PSA:	51.80000
LogP:	1.79320

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Specification

The 5-Phthalazinamine is an organic compound with the formula C₈H₇N₃. The systematic name of this chemical is phthalazin-5-amine. With the CAS registry number 102072-84-4, it is also named as 5-Aminophthalazine.

Physical properties about 5-Phthalazinamine are: (1)ACD/LogP: -0.82; (2)ACD/LogD (pH 5.5): -0.88; (3)ACD/LogD (pH 7.4): -0.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 7.43; (7)ACD/KOC (pH 7.4): 8.5; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.02 Å²; (12)Index of Refraction: 1.723; (13)Molar Refractivity: 44.51 cm³; (14)Molar Volume: 112.2 cm³; (15)Polarizability: 17.64×10^-24cm³; (16)Surface Tension: 70.4 dyne/cm; (17)Density: 1.292 g/cm³; (18)Flash Point: 239.3 °C; (19)Enthalpy of Vaporization: 67.75 kJ/mol; (20)Boiling Point: 423.2 °C at 760 mmHg; (21)Vapour Pressure: 2.28E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2ncc1c(cccc1c2)N
(2)InChI: InChI=1/C8H7N3/c9-8-3-1-2-6-4-10-11-5-7(6)8/h1-5H,9H2
(3)InChIKey: IXASUUHIFCTEJK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H7N3/c9-8-3-1-2-6-4-10-11-5-7(6)8/h1-5H,9H2
(5)Std. InChIKey: IXASUUHIFCTEJK-UHFFFAOYSA-N