Cas no 842974-64-5 (2-(Piperidin-1-yl)pyrimidine-5-carboxylic acid)

2-(Piperidin-1-yl)pyrimidine-5-carboxylic acid structure
842974-64-5 structure
Product Name:2-(Piperidin-1-yl)pyrimidine-5-carboxylic acid
CAS No:842974-64-5
MF:C10H13N3O2
MW:207.229121923447
MDL:MFCD06801224
CID:3081580
PubChem ID:3160976
Update Time:2025-04-21

2-(Piperidin-1-yl)pyrimidine-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(Piperidin-1-yl)pyrimidine-5-carboxylic acid
    • 2-(piperidin-1-yl)pyrimidine-5-carboxylicacid
    • SCHEMBL186135
    • 2-(1-PIPERIDINYL)-5-PYRIMIDINECARBOXYLIC ACID
    • 842974-64-5
    • SR-01000368663-1
    • SR-01000368663
    • AKOS000283904
    • AB30004
    • DB-407962
    • HMS1697I17
    • 2-Piperidin-1-yl-pyrimidine-5-carboxylic acid
    • 2-piperidin-1-ylpyrimidine-5-carboxylic acid
    • MDL: MFCD06801224
    • Inchi: 1S/C10H13N3O2/c14-9(15)8-6-11-10(12-7-8)13-4-2-1-3-5-13/h6-7H,1-5H2,(H,14,15)
    • InChI Key: AZRMCOFZXOSTSH-UHFFFAOYSA-N
    • SMILES: OC(C1C=NC(=NC=1)N1CCCCC1)=O

Computed Properties

  • Exact Mass: 207.100776666Da
  • Monoisotopic Mass: 207.100776666Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 221
  • 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
  • Topological Polar Surface Area: 66.3?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 438.6±37.0 °C at 760 mmHg
  • Flash Point: 219.1±26.5 °C
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

2-(Piperidin-1-yl)pyrimidine-5-carboxylic acid Security Information

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