Cas no 1086106-57-1 (methyl (3S)-3-aminopentanoate)

methyl (3S)-3-aminopentanoate structure
methyl (3S)-3-aminopentanoate structure
Product Name:methyl (3S)-3-aminopentanoate
CAS No:1086106-57-1
MF:C6H13NO2
MW:131.172921895981
CID:1185921
PubChem ID:51358237
Update Time:2023-11-24

methyl (3S)-3-aminopentanoate Chemical and Physical Properties

Names and Identifiers

    • (S)-Methyl 3-Aminopentanoate
    • (3S)-3-Aminopentanoic acid methyl ester
    • METHYL (3S)-3-AMINOPENTANOATE
    • (S)-3-Amino-pentanoic acid methyl ester
    • F16995
    • A850821
    • methyl (3S)-3-aminopentanoate
    • Inchi: 1S/C6H13NO2/c1-3-5(7)4-6(8)9-2/h5H,3-4,7H2,1-2H3/t5-/m0/s1
    • InChI Key: STSLIPZQSYMYNW-YFKPBYRVSA-N
    • SMILES: O(C)C(C[C@H](CC)N)=O

Computed Properties

  • Exact Mass: 131.095
  • Monoisotopic Mass: 131.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • 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: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 52.3

Experimental Properties

  • Density: 0.970
  • Boiling Point: 178 oC
  • Flash Point: 50 oC

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