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87751-33-5

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Basic Information
CAS No.: 87751-33-5
Name: 3,4-DIAMINOQUINOLINE
Molecular Structure:
Molecular Structure of 87751-33-5 (3,4-DIAMINOQUINOLINE)
Formula: C9H9N3
Molecular Weight: 159.191
Synonyms: 3,4-Diaminoquinoline;Quinoline,3,4-diamino- (6CI);
Density: 1.312 g/cm3
Melting Point: 129 °C
Boiling Point: 384.3 °C at 760 mmHg
Flash Point: 214.4 °C
PSA: 64.93000
LogP: 2.56160
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Specification

The 3,4-Quinolinediamine is an organic compound with the formula C9H9N3. The IUPAC name of this chemical is Quinoline-3,4-diamine. With the CAS registry number 87751-33-5, it is also named as 3,4-Diaminoquinoline. The product's category is Pharmacetical. Besides, its molecular weight is 159.1879.

Physical properties about 3,4-Quinolinediamine are: (1)ACD/LogP: 1.44; (2)ACD/LogD (pH 5.5): -0.91; (3)ACD/LogD (pH 7.4): 0.44; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 14.66; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 19.37 Å2; (12)Index of Refraction: 1.774; (13)Molar Refractivity: 50.65 cm3; (14)Molar Volume: 121.3 cm3; (15)Polarizability: 20.08×10-24 cm3; (16)Surface Tension: 74.8 dyne/cm; (17)Density: 1.312 g/cm3; (18)Flash Point: 214.4 °C; (19)Enthalpy of Vaporization: 63.29 kJ/mol; (20)Boiling Point: 384.3 °C at 760 mmHg; (21)Vapour Pressure: 4.14E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H9N3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,10H2,(H2,11,12)
(2)InChIKey: UTOMICFLROGMAE-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C9H9N3/c10-7-5-12-8-4-2-1-3-6(8)9(7)11/h1-5H,10H2,(H2,11,12)
(4)Std. InChIKey: UTOMICFLROGMAE-UHFFFAOYSA-N