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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 | Hazard Symbols | N/A | |
Synonyms |
4-Cyclohexylamino-3-nitrobenzaldehyde; |
Article Data | 1 |
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