Cas no 77966-72-4 (N,N-diethyl-N''-methyl-N''-{2-[(2-methylphenyl)amino]-2-oxoethyl}ethane-1,2-diaminium dichloride)

N,N-diethyl-N''-methyl-N''-{2-[(2-methylphenyl)amino]-2-oxoethyl}ethane-1,2-diaminium dichloride structure
77966-72-4 structure
Product Name:N,N-diethyl-N''-methyl-N''-{2-[(2-methylphenyl)amino]-2-oxoethyl}ethane-1,2-diaminium dichloride
CAS No:77966-72-4
MF:C16H29Cl2N3O
MW:350.32696223259
CID:883152
PubChem ID:53937
Update Time:2025-04-19

N,N-diethyl-N''-methyl-N''-{2-[(2-methylphenyl)amino]-2-oxoethyl}ethane-1,2-diaminium dichloride Chemical and Physical Properties

Names and Identifiers

    • N,N-diethyl-N''-methyl-N''-{2-[(2-methylphenyl)amino]-2-oxoethyl}ethane-1,2-diaminium dichloride
    • Acetamide, 2-[[2- (diethylamino)ethyl]methylamino]-N-(2-methylphenyl)-, dihydrochloride
    • 2-[2-(diethylamino)ethyl-methylamino]-N-(2-methylphenyl)acetamide,hydrochloride
    • 2-(2-(Diethylamino)ethyl)methylamino-o-acetotoluidide dihydrochloride
    • o-ACETOTOLUIDIDE, 2-(2-(DIETHYLAMINO)ETHYL)METHYLAMINO-, DIHYDROCHLORIDE
    • NSC 120651
    • Acetamide, 2-((2-(diethylamino)ethyl)methylamino)-N-(2-methylphenyl)-, dihydrochloride
    • 77966-72-4
    • C 5346
    • Inchi： 1S/C16H27N3O.2ClH/c1-5-19(6-2)12-11-18(4)13-16(20)17-15-10-8-7-9-14(15)3;;/h7-10H,5-6,11-13H2,1-4H3,(H,17,20);2*1H
    • InChI Key： FRXIYLMIEZBHHH-UHFFFAOYSA-N
    • SMILES： [Cl-].[Cl-].O=C(C[NH+](C)CC[NH+](CC)CC)NC1C=CC=CC=1C

Computed Properties

  • Exact Mass: 349.169
  • Monoisotopic Mass: 349.169
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 8
  • Complexity: 279
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 38A^2

Experimental Properties

  • Boiling Point: 403.1°C at 760 mmHg
  • Flash Point: 197.6°C

N,N-diethyl-N''-methyl-N''-{2-[(2-methylphenyl)amino]-2-oxoethyl}ethane-1,2-diaminium dichloride Related Literature

77966-72-4 (N,N-diethyl-N''-methyl-N''-{2-[(2-methylphenyl)amino]-2-oxoethyl}ethane-1,2-diaminium dichloride) Related Products

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