| Specification: |
This chemical is called 2-Chloro-N,N-bis(2-methylpropyl)acetamide, and it can also be named as Chembrdg-bb 4024655. With the molecular formula of C10H20ClNO, its molecular weight is 205.72. In addition, the CAS registry number of this chemical is 5326-82-9, and its product category is Miscellaneou.
Other characteristics of this chemical can be summarised as followings: (1)XLogP3-AA: 3; (2)Rotatable Bond Count: 5; (3)Exact Mass: 205.123342; (4)MonoIsotopic Mass: 205.123342; (5)Topological Polar Surface Area: 20.3; (6)Heavy Atom Count: 13; (7)Formal Charge: 0; (8)Complexity: 147; (9)Isotope Atom Count: 0; (10)Defined Atom StereoCenter Count: 0; (11)Undefined Atom StereoCenter Count: 0; (12)Defined Bond StereoCenter Count: 0; (13)Undefined Bond StereoCenter Count: 0; (14)Covalently-Bonded Unit Count: 1; (15)ACD/LogP: 2.31; (16)# of Rule of 5 Violations: 0; (17)#H bond acceptors: 2; (18)#H bond donors: 0; (19)#Freely Rotating Bonds: 5; (20)Polar Surface Area: 20.31 Å2; (21)Index of Refraction: 1.453; (22)Molar Refractivity: 56.89 cm3; (23)Molar Volume: 210.1 cm3; (24)Polarizability: 22.55×10-24cm3; (25)Surface Tension: 30.5 dyne/cm; (26)Density: 0.979 g/cm3; (27)Flash Point: 115.9 °C; (28)Enthalpy of Vaporization: 50.6 kJ/mol; (29)Boiling Point: 268 °C at 760 mmHg; (30)Vapour Pressure: 0.0079 mmHg at 25°C.
Preparation of this chemical: The 2-Chloro-N,N-bis(2-methylpropyl)acetamide could be obtained by the reactants of chloroacetyl chloride and diisobutylamine. In addition, this reaction needs the reagents of aqueous NaOH-solution and 1,2-dichloro-ethane.
Uses of this chemical: The 2-Chloro-N,N-bis(2-methylpropyl)acetamide can react with C20H27OP, and obtain the 2-[bis-(4-tert-butyl-phenyl)-phosphinoyl]-N,N-diisobutyl-acetamide. This reaction needs the reagent of tetrahydrofuran, and time for 3 hours. The other condition for this reaction is heating. In addtion, the yield is 70 %.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)N(CC(C)C)CC(C)C
(2)InChI: InChI=1/C10H20ClNO/c1-8(2)6-12(7-9(3)4)10(13)5-11/h8-9H,5-7H2,1-4H3
(3)InChIKey: ARVSNCMWOCPYNR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H20ClNO/c1-8(2)6-12(7-9(3)4)10(13)5-11/h8-9H,5-7H2,1-4H3
(5)Std. InChIKey: ARVSNCMWOCPYNR-UHFFFAOYSA-N
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