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Cas Database |
| Name |
3,3'-Dithiobis(N-octylpropionamide) |
EINECS | 251-453-8 |
| CAS No. | 33312-01-5 | Density | 1.003 g/cm3 |
| PSA | 108.80000 | LogP | 6.88320 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H44N2O2S2 | Boiling Point | 619.6 °C at 760 mmHg |
| Molecular Weight | 432.736 | Flash Point | 328.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3,3'-Disulfanediylbis(N-octylpropanamide);3,3'-dithiobis[N-octylpropionamide];N-Octyl-3-[3-(octylamino)-3-oxopropyl]disulfanylpropanamide;N,N'-Bis-n-octyl-3,3'-dithiopropionamide; |
Article Data | 4 |
3,3'-Dithiobis(N-octylpropionamide) Specification
The 3,3'-Dithiobis(N-octylpropionamide) with cas registry number of 33312-01-5, is also called 3,3'-dithiobis[N-octylpropionamide] ; N-Octyl-3-[3-(octylamino)-3-oxopropyl]disulfanylpropanamide .
Physical properties of 3,3'-Dithiobis(N-octylpropionamide) : (1)ACD/LogP: 7.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.29; (4)ACD/LogD (pH 7.4): 7.29; (5)ACD/BCF (pH 5.5): 205060.73; (6)ACD/BCF (pH 7.4): 205060.95; (7)ACD/KOC (pH 5.5): 220709.52; (8)ACD/KOC (pH 7.4): 220709.75; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 91.22 Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 127.21 cm3; (15)Molar Volume: 431.4 cm3; (16)Polarizability: 50.43×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Enthalpy of Vaporization: 91.84 kJ/mol; (19)Vapour Pressure: 2.8E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:(1)SMILES:O=C(NCCCCCCCC)CCSSCCC(=O)NCCCCCCCC; (2)InChI:InChI=1/C22H44N2O2S2/c1-3-5-7-9-11-13-17-23-21(25)15-19-27-28-20-16-22(26)24-18-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26); (3)InChIKey:NQSLUQLRQBLHJD-UHFFFAOYAE; (4)Std. InChI:InChI=1S/C22H44N2O2S2/c1-3-5-7-9-11-13-17-23-21(25)15-19-27-28-20-16-22(26)24-18-14-12-10-8-6-4-2/h3-20H2,1-2H3,(H,23,25)(H,24,26); (5)Std. InChIKey:NQSLUQLRQBLHJD-UHFFFAOYSA-N .
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