Cas no 62498-75-3 (butyl(4-nitrophenyl)methylamine)

butyl(4-nitrophenyl)methylamine structure
62498-75-3 structure
Product Name:butyl(4-nitrophenyl)methylamine
CAS No:62498-75-3
MF:C11H16N2O2
MW:208.256942749023
CID:956743
PubChem ID:228359
Update Time:2025-04-19

butyl(4-nitrophenyl)methylamine Chemical and Physical Properties

Names and Identifiers

    • N-[(4-nitrophenyl)methyl]butan-1-amine
    • 4-(N-butyl-aminomethyl)-nitrobenzene
    • 4-(N-butyl-amino-methyl)-nitrobenzene
    • 4-NO2C6H4CH2NH(n-butyl)
    • AC1L5G62
    • AC1Q1ZCN
    • AR-1J9354
    • butyl-(4-nitrobenzyl)-amine
    • n-(4-nitrobenzyl)butan-1-amine
    • N-Butyl-4-nitrobenzylamin
    • N-butyl-N-4-nitrobenzylamine
    • NSC21227
    • SureCN3117616
    •  
    • butyl(4-nitrophenyl)methylamine
    • NSC-21227
    • SCHEMBL3117616
    • BUTYL[(4-NITROPHENYL)METHYL]AMINE
    • DTXSID90281301
    • EN300-169085
    • 62498-75-3
    • AKOS000251133
    • Inchi: 1S/C11H16N2O2/c1-2-3-8-12-9-10-4-6-11(7-5-10)13(14)15/h4-7,12H,2-3,8-9H2,1H3
    • InChI Key: JDTNKBOSGXXCOP-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC(=CC=1)CNCCCC)=O

Computed Properties

  • Exact Mass: 208.12128
  • Monoisotopic Mass: 208.121177757g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 184
  • 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: 2.4
  • Topological Polar Surface Area: 57.8?2

Experimental Properties

  • PSA: 55.17
  • LogP: 3.39860

butyl(4-nitrophenyl)methylamine Pricemore >>

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