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2-Butyn-1-amine,N-2-butyn-1-yl-

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  • Name 2-Butyn-1-amine,N-2-butyn-1-yl-
  • EINECSN/A
  • CAS No. 53146-06-8
  • Density0.89 g/cm3
  • PSA12.03000
  • LogP1.01350
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC8H11N
  • Boiling Point190.4 °C at 760 mmHg
  • Molecular Weight121.182
  • Flash Point64.9 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 53146-06-8 (DI-BUT-2-YNYL-AMINE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi

2-Butyn-1-amine,N-2-butyn-1-yl- Specification

The 2-Butyn-1-amine,N-2-butyn-1-yl-, with the CAS registry number 53146-06-8, is also known as Di-but-2-ynyl-amine. This chemical's molecular formula is C8H11N and molecular weight is 121.18. When you are dealing with this chemical, you should be very careful. This chemical is irritating to the skin or other mucous membranes.

Physical properties about this chemical are: (1)ACD/LogP: 1.42; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.82; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.01; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 40; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 38.71 cm3; (15)Molar Volume: 136 cm3; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 0.89 g/cm3; (18)Flash Point: 64.9 °C; (19)Enthalpy of Vaporization: 42.66 kJ/mol; (20)Boiling Point: 190.4 °C at 760 mmHg; (21)Vapour Pressure: 0.543 mmHg at 25 °C.

Uses of 2-Butyn-1-amine,N-2-butyn-1-yl-: it is used to produce other chemicals. For example, it is used to produce 2-(Di-but-2-ynyl-amino)-ethanethiol.

The reaction occurs with solvent Benzene at temperature of 100 °C for 2 hours. The yield is 72%.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#CCNCC#CC)C
(2) InChI: InChI=1/C8H11N/c1-3-5-7-9-8-6-4-2/h9H,7-8H2,1-2H3
(3) InChIKey: NSSUYRUVVPJZGI-UHFFFAOYAK

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