Cas no 40967-78-0 (3-aminoadipic acid)

3-aminoadipic acid structure
3-aminoadipic acid structure
Product Name:3-aminoadipic acid
CAS No:40967-78-0
MF:C6H11NO4
MW:161.155842065811
CID:926418
PubChem ID:224389
Update Time:2025-04-19

3-aminoadipic acid Chemical and Physical Properties

Names and Identifiers

    • 3-aminoadipic acid
    • B-AMINOADIPIC ACID
    • RARECHEM AL BL 0664
    • Hexanedioic acid, 3-amino-, (3S)-
    • AKOS006228678
    • 3-Aminohexanedioic acid
    • BCP27860
    • 40967-78-0
    • MFCD00010509
    • DL-beta-Amino adipic acid
    • DB-012435
    • CHEBI:64303
    • NSC12783
    • AC-24583
    • SCHEMBL42056
    • beta-homoglutamic acid
    • Hexanedioic acid, 3-amino-
    • beta-aminoadipic acid
    • J-511688
    • 3-AMINOADIPICACID
    • DS-13745
    • NSC-12783
    • XABCFXXGZPWJQP-UHFFFAOYSA-N
    • Q27133206
    • 5427-96-3
    • DTXSID901313637
    • A7893
    • HO2CCH2CH2CH(NH2)CH2CO2H
    • CS-0169325
    • D-beta-homoglutamic acid
    • 3-amino-hexanedioic acid
    • Inchi: 1S/C6H11NO4/c7-4(3-6(10)11)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
    • InChI Key: XABCFXXGZPWJQP-UHFFFAOYSA-N
    • SMILES: OC(CC(CCC(=O)O)N)=O

Computed Properties

  • Exact Mass: 161.06900
  • Monoisotopic Mass: 161.06880783g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 157
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -3.6
  • Topological Polar Surface Area: 101?2

Experimental Properties

  • Melting Point: 205?°C (dec.)(lit.)
  • PSA: 100.62000
  • LogP: 0.35350

3-aminoadipic acid Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

3-aminoadipic acid Related Literature

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