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CAS No.: | 13093-05-5 |
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Name: | N,N'-DIETHYL-1,6-DIAMINOHEXANE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C10H24N2 |
Molecular Weight: | 172.314 |
Synonyms: | 1,6-Hexanediamine, N,N'-diethyl-;1,6-Bis(ethylamino)hexane;N,N'-Diethylhexamethylenediamine;N,N'-Diethylhexylenediamine;1,6-Hexanediamine,N,N'-diethyl- (6CI,8CI,9CI); |
EINECS: | 236-006-7 |
Density: | 0.815 g/cm3 |
Melting Point: | 259-260 °C |
Boiling Point: | 233.8 °C at 760 mmHg |
Flash Point: | 105.1 °C |
PSA: | 24.06000 |
LogP: | 2.54760 |
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The CAS registry number of 1,6-Hexanediamine,N1,N6-diethyl- is 13093-05-5. The IUPAC name is N,N'-diethylhexane-1,6-diamine. Its EINECS registry number is 236-006-7. In addition, the molecular formula is C10H24N2 and the molecular weight is 172.31. It should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): -2.53; (3)ACD/LogD (pH 7.4): -2.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 6.48 Å2; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 55.56 cm3; (14)Molar Volume: 211.2 cm3; (15)Polarizability: 22.02 ×10-24cm3; (16)Surface Tension: 28 dyne/cm; (17)Density: 0.815 g/cm3; (18)Flash Point: 105.1 °C; (19)Enthalpy of Vaporization: 47.05 kJ/mol; (20)Boiling Point: 233.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0549 mmHg at 25°C.
Preparation of 1,6-Hexanediamine,N1,N6-diethyl-: it can be prepared by N,N'-hexanediyl-bis-acetamide. This reaction will need reagent lithium aluminium hydride and solvent diethyl ether. The reaction time is 18 hours by heating. The yield is about 35%.
Uses of 1,6-Hexanediamine,N1,N6-diethyl-: it can react with isocyanatobenzene to get 1,6-bis-(1-ethyl-3-phenylureido-1-yl)hexane. This reaction will need solvent CHCl3. The reaction time is 1 hour with ambient temperature. The yield is about 91%.
You can still convert the following datas into molecular structure:
(1)SMILES: N(CC)CCCCCCNCC
(2)InChI: InChI=1/C10H24N2/c1-3-11-9-7-5-6-8-10-12-4-2/h11-12H,3-10H2,1-2H3
(3)InChIKey: LDQWVRMGQLAWMN-UHFFFAOYAJ