Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro- supplier

Name
Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro-
EINECS
CAS No. 14894-45-2
Article Data1
CAS DataBase
Density 1.219 g/cm³
Solubility
Melting Point
Formula C₂₆H₃₈N₄O₆S
Boiling Point 687.4 °C at 760 mmHg
Molecular Weight 534.677
Flash Point 369.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC177733;
PSA
LogP

Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro- Specification

The CAS registry number of Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro- is 14894-45-2. This chemical's molecular formula is C₂₆H₃₈N₄O₆S and molecular weight is 534.6681. What's more, its IUPAC name is N-Heptyl-4-[4-(heptylamino)-3-nitrophenyl]sulfonyl-.

Physical properties about Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro- are: (1)ACD/LogP: 10.50; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 10; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 18; (6)Polar Surface Area: 140.64 Å²; (7)Index of Refraction: 1.572; (8)Molar Refractivity: 144.46 cm³; (9)Molar Volume: 438.4 cm³; (10)Polarizability: 57.27×10^-24cm³; (11)Surface Tension: 53.3 dyne/cm; (12)Density: 1.219 g/cm³; (13)Flash Point: 369.5 °C; (14)Enthalpy of Vaporization: 100.78 kJ/mol; (15)Boiling Point: 687.4 °C at 760 mmHg; (16)Vapour Pressure: 9.51E-19 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(ccc1NCCCCCCC)S(=O)(=O)c2ccc(NCCCCCCC)c(c2)[N+]([O-])=O
(2)InChI: InChI=1/C26H38N4O6S/c1-3-5-7-9-11-17-27-23-15-13-21(19-25(23)29(31)32)37(35,36)22-14-16-24(26(20-22)30(33)34)28-18-12-10-8-6-4-2/h13-16,19-20,27-28H,3-12,17-18H2,1-2H3
(3)InChIKey: NVSMZIYFJYNZAM-UHFFFAOYAG

Product Name

Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro-

Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro- Specification

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