Cas no 1248767-06-7 (Cycloheptanecarboxylic acid, 1-(aminomethyl)-, methyl ester)

Cycloheptanecarboxylic acid, 1-(aminomethyl)-, methyl ester structure
1248767-06-7 structure
Product Name:Cycloheptanecarboxylic acid, 1-(aminomethyl)-, methyl ester
CAS No:1248767-06-7
MF:C10H19NO2
MW:185.26
CID:5520260
PubChem ID:62596393
Update Time:2024-11-06

Cycloheptanecarboxylic acid, 1-(aminomethyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Cycloheptanecarboxylic acid, 1-(aminomethyl)-, methyl ester
    • Methyl 1-(aminomethyl)cycloheptane-1-carboxylate
    • MFCD16809964
    • methyl1-(aminomethyl)cycloheptane-1-carboxylate
    • CS-0288134
    • F89657
    • EN300-1153774
    • methyl 1-(aminomethyl)cycloheptanecarboxylate
    • AKOS011888331
    • 1248767-06-7
    • Inchi: 1S/C10H19NO2/c1-13-9(12)10(8-11)6-4-2-3-5-7-10/h2-8,11H2,1H3
    • InChI Key: OPSKAXDOYPUZLH-UHFFFAOYSA-N
    • SMILES: C1(CN)(C(OC)=O)CCCCCC1

Computed Properties

  • Exact Mass: 185.141578849g/mol
  • Monoisotopic Mass: 185.141578849g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 172
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.001±0.06 g/cm3(Predicted)
  • Boiling Point: 256.1±13.0 °C(Predicted)
  • pka: 10.27±0.29(Predicted)

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