Cas no 58521-63-4 (3-Amino-hexanoic Acid)

3-Amino-hexanoic Acid structure
3-Amino-hexanoic Acid structure
Product Name:3-Amino-hexanoic Acid
CAS No:58521-63-4
MF:C6H13NO2
MW:131.172921895981
MDL:MFCD00044473
CID:341791
PubChem ID:5275645
Update Time:2024-11-03

3-Amino-hexanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 3-amino-
    • 3-Amino-hexanoic acid
    • 3‐AMINO‐HEXANOIC ACID
    • 3-amino-ethylbutyrate
    • DL-3-Amino-capronsaeure
    • RARECHEM AK HD C014
    • beta-Aminocaproic acid
    • YIJFIIXHVSHQEN-UHFFFAOYSA-N
    • 58521-63-4
    • CHEMBL1191821
    • 3-Aminocaproic acid
    • 3-Aminocaproate
    • AB01975
    • FT-0718725
    • CS-0297046
    • AKOS003622937
    • CHEBI:173525
    • TS-7193
    • SCHEMBL1114997
    • EN300-120453
    • MFCD00044473
    • b-aminocaproic acid
    • DTXSID101315039
    • 3-aminohexanoicacid
    • 3-aminohexanoic acid
    • DB-072491
    • Hexanoic acid, 3-amino-, hydrochloride
    • ALBB-017772
    • 3-Amino-hexanoic Acid
    • MDL： MFCD00044473
    • Inchi： 1S/C6H13NO2/c1-2-3-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
    • InChI Key： YIJFIIXHVSHQEN-UHFFFAOYSA-N
    • SMILES： OC(CC(CCC)N)=O

Computed Properties

  • Exact Mass: 131.09500
  • Monoisotopic Mass: 131.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 93.1
  • 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: -2.2
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.038±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 205-207 oC
  • Boiling Point: 240.4±23.0 oC (760 Torr),
  • Flash Point: 99.2±22.6 oC,
  • Solubility: Dissolution (72 g/l) (25 o C),
  • PSA: 63.32000
  • LogP: 1.28880

3-Amino-hexanoic Acid Security Information

  • Hazard Category Code： 36
  • Safety Instruction： 26
  • Hazardous Material Identification： Xi

3-Amino-hexanoic Acid Pricemore >>

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