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CAS No.: | 6281-06-7 |
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Name: | N-butylhex-1-yn-3-amine |
Molecular Structure: | |
Formula: | C10H19N |
Molecular Weight: | 153.268 |
Synonyms: | N-Butylhex-1-yn-3-amine;NSC 6408; |
Density: | 0.821 g/cm3 |
Boiling Point: | 218.9 °C at 760 mmHg |
Flash Point: | 79.4 °C |
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The 1-Hexyn-3-amine,N-butyl-, with the CAS registry number 6281-06-7, is also known as NSC6408. This chemical's molecular formula is C10H19N and molecular weight is 153.26. What's more, its IUPAC name is N-Butylhex-1-yn-3-amine.
Physical properties of 1-Hexyn-3-amine,N-butyl- are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.446; (8)Molar Refractivity: 49.75 cm3; (9)Molar Volume: 186.5 cm3; (10)Polarizability: 19.72×10-24 cm3; (11)Surface Tension: 29.3 dyne/cm; (12)Density: 0.821 g/cm3; (13)Flash Point: 79.4 °C; (14)Enthalpy of Vaporization: 45.53 kJ/mol; (15)Boiling Point: 218.9 °C at 760 mmHg; (16)Vapour Pressure: 0.123 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCNC(CCC)C#C
(2)InChI: InChI=1S/C10H19N/c1-4-7-9-11-10(6-3)8-5-2/h3,10-11H,4-5,7-9H2,1-2H3
(3)InChIKey: RUHBHVJGYGYXOH-UHFFFAOYSA-N