Basic information
- Name:
1,4-Butanediamine,N1,N4-dimethyl-
- Superlist Name:
- N,N'-Dimethylbutane-1,4-diamine
- CAS No.:
16011-97-5
- Molecular Structure:
- Formula:
- C6H16N2
- Molecular Weight:
- 116.20
- Synonyms:
- 1,4-Butanediamine,N,N'-dimethyl- (6CI,7CI,8CI,9CI);1,4-Bis(methylamino)butane;N,N'-Dimethyl-1,4-butanediamine;N,N'-Dimethyl-1,4-diaminobutane;N,N'-Dimethylbutanediamine;N,N'-Dimethylputrescine;N,N'-Dimethyltetramethylenediamine;
- EINECS:
- 240-148-5
- Density:
- 0.8 g/cm3
- Boiling Point:
- 158.872 °C at 760 mmHg
- Flash Point:
- 35.87 °C
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Specification
The cas register number of N,N'-Dimethylbutane-1,4-diamine is 16011-97-5. It also can be called as 1,4-Butanediamine, N1,N4-dimethyl- and the IUPAC Name about this chemical is N,N'-dimethylbutane-1,4-diamine.
Physical properties about N,N'-Dimethylbutane-1,4-diamine are: (1)ACD/LogP: -0.25; (2)ACD/LogD (pH 5.5): -4.35; (3)ACD/LogD (pH 7.4): -4.34; (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: 5; (11)Polar Surface Area: 6.48Å2; (12)Index of Refraction: 1.423; (13)Molar Refractivity: 37.03 cm3; (14)Molar Volume: 145.2 cm3; (15)Polarizability: 14.68x10-24cm3; (16)Surface Tension: 25.6 dyne/cm; (17)Enthalpy of Vaporization: 39.55 kJ/mol; (18)Vapour Pressure: 2.57 mmHg at 25°C.
Preparation: this chemical can be prepared by N,N'-dimethyl-N,N'-butanediyl-bis-toluene-4-sulfonamide. This reaction will need reagent conc. H2SO4 and solvent H2O. The reaction temperature is 90 - 100 ℃. The yield is about 75%.
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Uses of N,N'-Dimethylbutane-1,4-diamine: it can be used to produce 1-hydroxy-2-oxo-3-(N-methyl-3-aminobutyl)-3-methyl-1-triazene at Ambient temperature. This reaction will need reagent NO and solvent acetonitrile with reaction time of 23 hour(s). The reaction pressure is 3800. The yield is about 85 %.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNCCCCNC
(2)InChI: InChI=1S/C6H16N2/c1-7-5-3-4-6-8-2/h7-8H,3-6H2,1-2H3
(3)InChIKey: CZPRYVBLOUZRGD-UHFFFAOYSA-N