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93783-29-0

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Basic Information
CAS No.: 93783-29-0
Name: 1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate
Molecular Structure:
Molecular Structure of 93783-29-0 (1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate)
Formula: C22H49N3O4S
Molecular Weight: 449.69128
Synonyms: 2-(3-methyl-2-pentadecyl-imidazolidin-1-ium-1-yl)ethanamine; methyl sulfate;2-(3-methyl-2-pentadecyl-4,5-dihydroimidazol-3-ium-1-yl)ethanamine;;
EINECS: 298-232-2
Boiling Point: 558.1 °C at 760 mmHg
Flash Point: 291.3 °C
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  • 1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate

  • Casno:

    93783-29-0

    1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate

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  • 1-(2-AMINOETHYL)-4,5-DIHYDRO-3-METHYL-2-PENTADECYL-1H-IMIDAZOLIUM METHYL SULFATECAS

  • Casno:

    93783-29-0

    1-(2-AMINOETHYL)-4,5-DIHYDRO-3-METHYL-2-PENTADECYL-1H-IMIDAZOLIUM METHYL SULFATECAS

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    1-(2-AMINOETHYL)-4,5-DIHYDRO-3-METHYL-2-PENTADECYL-1H-IMIDAZOLIUM METHYL SULFATECASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by expres

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Specification

The 1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate, with the CAS registry number 93783-29-0 and EINECS registry number 298-232-2, has the systematic name of 2-(3-methyl-2-pentadecyl-imidazolidin-1-ium-1-yl)ethanamine; methyl sulfate. And the molecular formula of the chemical is C22H47N3O4S.

The characteristics of 1-(2-Aminoethyl)-4,5-dihydro-3-methyl-2-pentadecyl-1H-imidazolium methyl sulphate are as followings: (1)ACD/LogP: 6.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.77 ; (5)#H bond acceptors: 7; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 18; (8)Polar Surface Area: 108.51 Å2; (9)Flash Point: 291.3 °C; (10)Enthalpy of Vaporization: 91.84 kJ/mol; (11)Boiling Point: 558.1 °C at 760 mmHg; (12)Vapour Pressure: 6.39E-14 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CN1CC[NH+](CCN)C1CCCCCCCCCCCCCCC.[O-]S(=O)(=O)OC
(2)InChI: InChI=1/C21H45N3.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-23(2)19-20-24(21)18-17-22;1-5-6(2,3)4/h21H,3-20,22H2,1-2H3;1H3,(H,2,3,4)
(3)InChIKey: UPAMTTLKRSAJOD-UHFFFAOYAI