Cas no 1936224-36-0 (3-Amino-3-(1-methylcyclohexyl)propanoic acid)

3-Amino-3-(1-methylcyclohexyl)propanoic acid structure
1936224-36-0 structure
Product Name:3-Amino-3-(1-methylcyclohexyl)propanoic acid
CAS No:1936224-36-0
MF:C10H19NO2
MW:185.26336312294
MDL:MFCD30239584
CID:5600462
PubChem ID:127008291
Update Time:2023-08-23

3-Amino-3-(1-methylcyclohexyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Amino-3-(1-methylcyclohexyl)propanoic acid
    • Cyclohexanepropanoic acid, β-amino-1-methyl-
    • 1936224-36-0
    • A1-31707
    • EN300-815494
    • MDL: MFCD30239584
    • Inchi: 1S/C10H19NO2/c1-10(5-3-2-4-6-10)8(11)7-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)
    • InChI Key: NLPBGUQWFGBSSQ-UHFFFAOYSA-N
    • SMILES: C1(C)(C(N)CC(O)=O)CCCCC1

Computed Properties

  • Exact Mass: 185.141578849g/mol
  • Monoisotopic Mass: 185.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 185
  • 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: -0.7
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.056±0.06 g/cm3(Predicted)
  • Boiling Point: 311.8±25.0 °C(Predicted)
  • pka: 3.62±0.12(Predicted)

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