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Benzaldehyde, 4-(cyclohexylamino)-3-nitro-

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Name

Benzaldehyde, 4-(cyclohexylamino)-3-nitro-

EINECS N/A
CAS No. 509094-03-5 Density 1.274 g/cm3
PSA 74.92000 LogP 3.74810
Solubility N/A Melting Point N/A
Formula C13H16N2O3 Boiling Point 419.788 °C at 760 mmHg
Molecular Weight 248.28 Flash Point 207.681 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 509094-03-5 (4-(cyclohexylamino)-3-nitrobenzaldehyde) Hazard Symbols N/A
Synonyms

4-Cyclohexylamino-3-nitrobenzaldehyde;

Article Data 1

Benzaldehyde, 4-(cyclohexylamino)-3-nitro- Specification

The CAS registry number of Benzaldehyde, 4-(cyclohexylamino)-3-nitro- is 509094-03-5. This chemical's molecular formula is C13H16N2O3 and molecular weight is 248.28. What's more, its systematic name is called 4-(Cyclohexylamino)-3-nitrobenzaldehyde.

Physical properties about Benzaldehyde, 4-(cyclohexylamino)-3-nitro- are: (1)ACD/LogP: 4.12; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1665; (6)ACD/BCF (pH 7.4): 1665; (7)ACD/KOC (pH 5.5): 7038; (8)ACD/KOC (pH 7.4): 7038; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 74.92 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 70.196 cm3; (15)Molar Volume: 194.902 cm3; (16)Polarizability: 27.828×10-24 cm3; (17)Surface Tension: 56.418 dyne/cm; (18)Density: 1.274 g/cm3; (19)Flash Point: 207.681 °C; (20)Enthalpy of Vaporization: 67.354 kJ/mol; (21)Boiling Point: 419.788 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c2cc(C=O)ccc2NC1CCCCC1
(2) InChI: InChI=1/C13H16N2O3/c16-9-10-6-7-12(13(8-10)15(17)18)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
(3) InChIKey: YVSXLBALKFXQRS-UHFFFAOYAV

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