Cas no 727971-57-5 (3-Amino-5,5-dimethylhexanoicacid)

3-Amino-5,5-dimethylhexanoicacid structure
727971-57-5 structure
Product Name:3-Amino-5,5-dimethylhexanoicacid
CAS No:727971-57-5
MF:C8H17NO2
MW:159.2260825634
CID:68700
PubChem ID:10397086
Update Time:2023-11-22

3-Amino-5,5-dimethylhexanoicacid Chemical and Physical Properties

Names and Identifiers

    • 3-Amino-5,5-dimethylhexanoic acid
    • 3-AMINO-5,5-DIMETHYL-HEXANOIC ACID
    • RARECHEM AL BK 0708
    • N14205
    • AKOS013992446
    • FT-0648399
    • EN300-141076
    • 727971-57-5
    • 3-Amino-5,5-dimethyl hexanoic acid
    • FT-0692063
    • 3-AMINO-5,5-DIMETHYL-HEXANOICACID
    • Hexanoic acid,3-amino-5,5-dimethyl-
    • CHEMBL1160893
    • SCHEMBL6463849
    • 3-Amino-5,5-dimethylhexanoicacid
    • Inchi: 1S/C8H17NO2/c1-8(2,3)5-6(9)4-7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
    • InChI Key: ZBCPPTZVOXHDMT-UHFFFAOYSA-N
    • SMILES: OC(CC(CC(C)(C)C)N)=O

Computed Properties

  • Exact Mass: 159.12600
  • Monoisotopic Mass: 159.125928785g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 4
  • Complexity: 138
  • 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: -1.3
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.32000
  • LogP: 1.92490

3-Amino-5,5-dimethylhexanoicacid Pricemore >>

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