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CAS No.: | 212845-77-7 |
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Name: | 2-AMINO-5-NITROINDAN |
Molecular Structure: | |
Formula: | C9H10N2O2 |
Molecular Weight: | 178.19 |
Synonyms: | 5-Nitroindane-2-ylamine; |
Density: | 1.291 g/cm3 |
Boiling Point: | 313 °C at 760 mmHg |
Flash Point: | 143.1 °C |
PSA: | 71.84000 |
LogP: | 2.24420 |
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The 1H-Inden-2-amine,2,3-dihydro-5-nitro-, with the CAS registry number of 212845-77-7, is also known as 5-Nitroindane-2-ylamine. This chemical's molecular formula is C9H10N2O2 and molecular weight is 178.19. What's more, its systematic name is 5-Nitro-2,3-dihydro-1H-inden-2-amine.
Physical properties about the 1H-Inden-2-amine,2,3-dihydro-5-nitro- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.96; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 28.42; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 48.52 cm3; (15)Molar Volume: 137.9 cm3; (16)Surface Tension: 56.8 dyne/cm; (17)Density: 1.291 g/cm3; (18)Flash Point: 143.1 °C; (19)Enthalpy of Vaporization: 55.4 kJ/mol; (20)Boiling Point: 313 °C at 760 mmHg; (21)Vapour Pressure: 0.000512 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc2c(c1)CC(N)C2
(2) InChI: InChI=1/C9H10N2O2/c10-8-3-6-1-2-9(11(12)13)5-7(6)4-8/h1-2,5,8H,3-4,10H2
(3) InChIKey: MDRSLNMEVGJERF-UHFFFAOYAP