Cas no 203448-76-4 (2-(1,3-Dimethylbutyl)benzenamine)

2-(1,3-Dimethylbutyl)benzenamine structure
203448-76-4 structure
Product Name:2-(1,3-Dimethylbutyl)benzenamine
CAS No:203448-76-4
MF:C12H19N
MW:177.28596329689
MDL:MFCD20690644
CID:1393250
PubChem ID:11528441
Update Time:2025-04-20

2-(1,3-Dimethylbutyl)benzenamine Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 2-(1,3-dimethylbutyl)-
    • 2-(1,3-dimethylbutyl)-Benzenamine
    • 2-(1,3-Dimethylbutyl)benzenamine
    • 2-(1,3-dimethylbutyl)-aniline
    • 2-(4-methylpentan-2-yl)aniline
    • 2-(1,3-dimethylbutyl)aniline
    • LPZZJKBLKQOBMZ-UHFFFAOYSA-N
    • 2-(1,3-dimethylbutyl)phenylamine
    • DTXSID601019696
    • AKOS037650887
    • 203448-76-4
    • MFCD20690644
    • CS-15449
    • NS00002819
    • SCHEMBL708994
    • C13510
    • CS-0030818
    • 2-(1,3-Dimethylbutyl)benzenamine; 2-(1,3-Dimethylbutyl)aniline; 2-(1,3-Dimethylbutyl)phenylamine; 2-(4-Methylpentan-2-yl)aniline
    • DS-022172
    • MDL: MFCD20690644
    • Inchi: 1S/C12H19N/c1-9(2)8-10(3)11-6-4-5-7-12(11)13/h4-7,9-10H,8,13H2,1-3H3
    • InChI Key: LPZZJKBLKQOBMZ-UHFFFAOYSA-N
    • SMILES: NC1C=CC=CC=1C(C)CC(C)C

Computed Properties

  • Exact Mass: 177.15187
  • Monoisotopic Mass: 177.151749610g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 142
  • 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: 3.5
  • Topological Polar Surface Area: 26

Experimental Properties

  • Density: 0.9±0.1 g/cm3
  • Boiling Point: 269.3±9.0 °C at 760 mmHg
  • Flash Point: 114.0±6.5 °C
  • PSA: 26.02
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2-(1,3-Dimethylbutyl)benzenamine Security Information

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