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Quinoline, 1,2,3,4-tetrahydro-6-nitro-

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Name

Quinoline, 1,2,3,4-tetrahydro-6-nitro-

EINECS
CAS No. 14026-45-0 Density 1.236 g/cm3
PSA 57.85000 LogP 2.61410
Solubility Melting Point 161-162 °C(Solv: acetic acid, 50% (64-19-7))
Formula C9H10N2O2 Boiling Point 341.4 °C at 760 mmHg
Molecular Weight 178.19 Flash Point 160.3 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 14026-45-0 (Quinoline, 1,2,3,4-tetrahydro-6-nitro-) Hazard Symbols
Synonyms

6-Nitro-1,2,3,4-tetrahydro-quinoline;6-Nitro-1,2,3,4-tetrahydroquinoline;

 

Quinoline, 1,2,3,4-tetrahydro-6-nitro- Specification

The Quinoline, 1,2,3,4-tetrahydro-6-nitro-, with the CAS registry number 14026-45-0, is also known as 6-Nitro-1,2,3,4-tetrahydro-quinoline. This chemical's molecular formula is C9H10N2O2 and molecular weight is 178.19. What's more, its systematic name is 6-Nitro-1,2,3,4-tetrahydroquinoline.

Physical properties of Quinoline, 1,2,3,4-tetrahydro-6-nitro- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 70.53; (6)ACD/BCF (pH 7.4): 70.53; (7)ACD/KOC (pH 5.5): 732.27; (8)ACD/KOC (pH 7.4): 732.29; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 48.32 cm3; (15)Molar Volume: 144.1 cm3; (16)Polarizability: 19.15×10-24 cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.236 g/cm3; (19)Flash Point: 160.3 °C; (20)Enthalpy of Vaporization: 58.51 kJ/mol; (21)Boiling Point: 341.4 °C at 760 mmHg; (22)Vapour Pressure: 8.05E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC2=C(C=CC(=C2)[N+](=O)[O-])NC1
(2)InChI: InChI=1S/C9H10N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10H,1-2,5H2
(3)InChIKey: ASVYHMUYLBMSKW-UHFFFAOYSA-N

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