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CAS No.: | 15959-40-7 |
---|---|
Name: | N-butyldioctylamine |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C20H43N |
Molecular Weight: | 297.568 |
Synonyms: | Dioctylamine, N-butyl- (8CI);Butyldioctylamine;N-butyldioctylamine;Einecs 240-095-8; |
EINECS: | 240-095-8 |
Density: | 0.813 g/cm3 |
Boiling Point: | 330.6 °C at 760 mmHg |
Flash Point: | 135.8 °C |
PSA: | 3.24000 |
LogP: | 6.80950 |
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The CAS register number of 1-Octanamine,N-butyl-N-octyl- is 15959-40-7. It also can be called as Butyldioctylamine and the systematic name about this chemical is N-butyl-N-octyloctan-1-amine. The molecular formula about this chemical is C20H43N and the molecular weight is 297.56212.
Physical properties about 1-Octanamine,N-butyl-N-octyl- are: (1)ACD/LogP: 9.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.01; (4)ACD/LogD (pH 7.4): 6.58; (5)ACD/BCF (pH 5.5): 3961.12; (6)ACD/BCF (pH 7.4): 14537.87; (7)ACD/KOC (pH 5.5): 1738.38; (8)ACD/KOC (pH 7.4): 6380.09; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 17; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 98.42 cm3; (14)Molar Volume: 365.9 cm3; (15)Polarizability: 39.01x10-24cm3; (16)Surface Tension: 29.6 dyne/cm; (17)Density: 0.813 g/cm3; (18)Flash Point: 135.8 °C; (19)Enthalpy of Vaporization: 57.31 kJ/mol; (20)Boiling Point: 330.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000165 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(CCCCCCCC)(CCCC)CCCCCCCC
(2)InChI: InChI=1/C20H43N/c1-4-7-10-12-14-16-19-21(18-9-6-3)20-17-15-13-11-8-5-2/h4-20H2,1-3H3
(3)InChIKey:RCIGOSUMVYRJEC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C20H43N/c1-4-7-10-12-14-16-19-21(18-9-6-3)20-17-15-13-11-8-5-2/h4-20H2,1-3H3
(5)Std. InChIKey: RCIGOSUMVYRJEC-UHFFFAOYSA-N