Cas no 6639-97-0 (N,N''-bis(4-methoxybenzyl)ethane-1,2-diamine)

N,N''-bis(4-methoxybenzyl)ethane-1,2-diamine structure
6639-97-0 structure
Product Name:N,N''-bis(4-methoxybenzyl)ethane-1,2-diamine
CAS No:6639-97-0
MF:C18H25ClN2O2
MW:336.856303930283
CID:963918
Update Time:2024-06-12

N,N''-bis(4-methoxybenzyl)ethane-1,2-diamine Chemical and Physical Properties

Names and Identifiers

    • N,N''-bis(4-methoxybenzyl)ethane-1,2-diamine
    • N',N'-bis[(4-methoxyphenyl)methyl]ethane-1,2-diamine
    • AG-G-50588
    • CTK5C4600
    • N,N'-Bis-(4-methoxy-benzyl)-aethylendiamin, Dihydrochlorid
    • N,N'-bis-(4-methoxy-benzyl)-ethylenediamine, dihydrochloride
    • N,N-BIS[(4-METHOXYPHENYL)METHYL]ETHANE-1,2-DIAMINE
    • SureCN4554161
    • [(4-methoxyphenyl)methyl](2-{[(4-methoxyphenyl)methyl]amino}ethyl)amine hydrochloride
    • MDL： MFCD03939354
    • Inchi： 1S/C18H24N2O2.ClH/c1-21-17-7-3-15(4-8-17)13-19-11-12-20-14-16-5-9-18(22-2)10-6-16;/h3-10,19-20H,11-14H2,1-2H3;1H
    • InChI Key： HODWOUMCKYIXAS-UHFFFAOYSA-N
    • SMILES： N(CC1=CC=C(OC)C=C1)CCNCC1=CC=C(OC)C=C1.[H]Cl

Computed Properties

  • Exact Mass: 300.18392
  • Monoisotopic Mass: 336.16
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 9
  • Complexity: 244
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.5A^2

Experimental Properties

  • Density: 1.066
  • Boiling Point: 446°C at 760 mmHg
  • Flash Point: 189.2°C
  • Refractive Index: 1.552
  • PSA: 42.52
  • LogP: 4.16700

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