Cas no 720656-64-4 (Benzeneacetic acid,2-[2-(dipropylamino)ethyl]-6-nitro-)

Benzeneacetic acid,2-[2-(dipropylamino)ethyl]-6-nitro- structure
720656-64-4 structure
Product Name:Benzeneacetic acid,2-[2-(dipropylamino)ethyl]-6-nitro-
CAS No:720656-64-4
MF:C16H24N2O4
MW:308.372764587402
CID:562483
PubChem ID:13530900
Update Time:2025-04-19

Benzeneacetic acid,2-[2-(dipropylamino)ethyl]-6-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetic acid,2-[2-(dipropylamino)ethyl]-6-nitro-
    • 2-(2-N,N-DIPROPYLAMINOETHYL)-6-NITROPHENYL ACETIC ACID
    • 2-[2-(Dipropylamino)ethyl]-6-nitrophenylacetic acid
    • {2-[2-(Dipropylamino)ethyl]-6-nitrophenyl}acetic acid
    • LogP
    • 720656-64-4
    • Open ring nitro derivative [USP]
    • DTXSID201217953
    • CLZ9O8P1E5
    • Benzeneacetic acid, 2-(2-(dipropylamino)ethyl)-6-nitro-
    • SCHEMBL2011929
    • FT-0701596
    • UNII-CLZ9O8P1E5
    • OPEN RING NITRO DERIVATIVE [USP IMPURITY]
    • 2-(2-(Dipropylamino)ethyl)-6-nitrobenzeneacetic acid
    • 2-[2-[2-(dipropylamino)ethyl]-6-nitrophenyl]acetic acid
    • 6-[2-(dipropylamino)ethyl]-2-nitrophenyl-acetic acid
    • Open ring nitro derivative
    • 2-[2-(Dipropylamino)ethyl]-6-nitrobenzeneacetic acid
    • Inchi： 1S/C16H24N2O4/c1-3-9-17(10-4-2)11-8-13-6-5-7-15(18(21)22)14(13)12-16(19)20/h5-7H,3-4,8-12H2,1-2H3,(H,19,20)
    • InChI Key： PBMNGLVZPSNABM-UHFFFAOYSA-N
    • SMILES： OC(CC1C(=CC=CC=1CCN(CCC)CCC)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 308.17400
  • Monoisotopic Mass: 308.17360725g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 9
  • Complexity: 351
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1
  • Topological Polar Surface Area: 86.4?2

Experimental Properties

  • PSA: 86.36000
  • LogP: 3.40960

Benzeneacetic acid,2-[2-(dipropylamino)ethyl]-6-nitro- Related Literature

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