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CAS No.: | 66894-61-9 |
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Name: | N,N-dibutyloct-2-yn-1-amine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C16H31N |
Molecular Weight: | 237.424 |
Density: | 0.838 g/cm3 |
Boiling Point: | 312.5 °C at 760 mmHg |
Flash Point: | 130 °C |
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This chemical is called N,N-dibutyloct-2-yn-1-amine. With the molecular formula of C16H31N, its molecular weight is 237.424. The CAS registry number of this chemical is 66894-61-9. In addition, its systematic name is N,N-dibutyloct-2-yn-1-amine.
Other characteristics of the N,N-dibutyloct-2-yn-1-amine can be summarised as follows: (1)ACD/LogP: 6.22; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.462; (8)Molar Refractivity: 77.9 cm3; (9)Molar Volume: 283.2 cm3; (10)Polarizability: 30.88×10-24 cm3; (11)Surface Tension: 31.8 dyne/cm; (12)Density: 0.838 g/cm3; (13)Flash Point: 130 °C; (14)Enthalpy of Vaporization: 55.35 kJ/mol; (15)Boiling Point: 312.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000528 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: C(#CCN(CCCC)CCCC)CCCCC
2.InChI: InChI=1/C16H31N/c1-4-7-10-11-12-13-16-17(14-8-5-2)15-9-6-3/h4-11,14-16H2,1-3H3
3.InChIKey: BVCNCARQUAGZHF-UHFFFAOYAS