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4539-51-9

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Basic Information
CAS No.: 4539-51-9
Name: 2-AMINOCARBAZOLE
Article Data: 29
Molecular Structure:
Molecular Structure of 4539-51-9 (2-AMINOCARBAZOLE)
Formula: C12H10N2
Molecular Weight: 182.225
Synonyms: 9H-Carbazol-2-amine (9CI);2-Aminocarbazole;5-22-10-00513 (Beilstein Handbook Reference);Carbazole, 2-amino-;
Density: 1.317 g/cm3
Melting Point: 238-239 °C
Boiling Point: 440.8 °C at 760 mmHg
Flash Point: 250.6 °C
PSA: 41.81000
LogP: 3.48450
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Specification

This product is an organic compound with the formula C12H10N2. The systematic name of this chemical is 9H-Carbazol-2-amine. With the CAS registry number 4539-51-9, it is also named as 2-Aminocarbazole. In addition, the molecular weight is 182.22 and its classification code is Mutation data.

Physical properties of 9H-Carbazol-2-amine are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 29.07; (6)ACD/BCF (pH 7.4): 41.73; (7)ACD/KOC (pH 5.5): 349.82; (8)ACD/KOC (pH 7.4): 502.15; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 8.17 Å2; (13)Index of Refraction: 1.827; (14)Molar Refractivity: 60.6 cm3; (15)Molar Volume: 138.2 cm3; (16)Polarizability: 24.02×10-24 cm3; (17)Surface Tension: 70.3 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 250.6 °C; (20)Enthalpy of Vaporization: 69.79 kJ/mol; (21)Boiling Point: 440.8 °C at 760 mmHg; (22)Vapour Pressure: 5.75E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)N
(2)InChI: InChI=1S/C12H10N2/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7,14H,13H2
(3)InChIKey: IGLKULAEHPBIJL-UHFFFAOYSA-N