Cas no 440347-89-7 (4-SEC-BUTYLAMINO-3-NITRO-BENZOIC ACID)

4-SEC-BUTYLAMINO-3-NITRO-BENZOIC ACID structure
440347-89-7 structure
Product Name:4-SEC-BUTYLAMINO-3-NITRO-BENZOIC ACID
CAS No:440347-89-7
MF:C11H14N2O4
MW:238.239862918854
MDL:MFCD02937559
CID:3028192
PubChem ID:11528819
Update Time:2025-07-30

4-SEC-BUTYLAMINO-3-NITRO-BENZOIC ACID Chemical and Physical Properties

Names and Identifiers

    • 4-SEC-BUTYLAMINO-3-NITRO-BENZOIC ACID
    • Oprea1_761905
    • 4-[(butan-2-yl)amino]-3-nitrobenzoic acid
    • 4-(sec-butylamino)-3-nitrobenzoic acid
    • AKOS017268548
    • SCHEMBL6044169
    • AKOS015965452
    • CHEMBL391473
    • 4-(butan-2-ylamino)-3-nitrobenzoic acid
    • 4-(sec-butylamino)-3-nitrobenzoicacid
    • SB80686
    • 440347-89-7
    • AKOS000214354
    • MDL: MFCD02937559
    • Inchi: 1S/C11H14N2O4/c1-3-7(2)12-9-5-4-8(11(14)15)6-10(9)13(16)17/h4-7,12H,3H2,1-2H3,(H,14,15)
    • InChI Key: DQBNOZHZXARJLB-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=C(C(=O)O)C=CC=1NC(C)CC)=O

Computed Properties

  • Exact Mass: 238.09535693Da
  • Monoisotopic Mass: 238.09535693Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 290
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 95.2?2

4-SEC-BUTYLAMINO-3-NITRO-BENZOIC ACID Security Information

  • HazardClass:IRRITANT

4-SEC-BUTYLAMINO-3-NITRO-BENZOIC ACID Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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