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

Name
4-(cyclohexylamino)-3-nitrobenzaldehyde
EINECS
CAS No. 509094-03-5
Article Data1
CAS DataBase
Density 1.274 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₆N₂O₃
Boiling Point 419.788 °C at 760 mmHg
Molecular Weight 248.28
Flash Point 207.681 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Cyclohexylamino-3-nitrobenzaldehyde;
PSA 74.92000
LogP 3.74810

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

Product Name

4-(cyclohexylamino)-3-nitrobenzaldehyde

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

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