Cas no 4812-69-5 ( )

  structure
  structure
Product Name: 
CAS No:4812-69-5
MF:C12H19N
MW:177.28596329689
CID:931803
PubChem ID:229354
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 1-(4-amino-3,5-dichlorophenyl)-2-(dimethylamino)ethanol
    • 1-Phenyl-4-methyl-3-amino-butan
    • AC1L527Q
    • AC1Q3LZH
    • BRN 2375455
    • CTK4H9769
    • KST-1B4456
    • NSC 22981
    • AKOS009392143
    • DB-212823
    • NSC22981
    • NSC-22981
    • SCHEMBL19079570
    • EN300-50199
    • 4-methyl-1-phenylpentan-3-amine
    • 4812-69-5
    •  
    • Inchi: 1S/C12H19N/c1-10(2)12(13)9-8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3
    • InChI Key: MQCYPOVFQBAQCT-UHFFFAOYSA-N
    • SMILES: NC(CCC1C=CC=CC=1)C(C)C

Computed Properties

  • Exact Mass: 177.15187
  • Monoisotopic Mass: 177.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 125
  • 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
  • Topological Polar Surface Area: 26A^2
  • XLogP3: 3

Experimental Properties

  • Density: 0.919±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 90-95 oC (0.4 Torr)
  • Flash Point: 109.6±12.1 oC,
  • Refractive Index: 1.511
  • Solubility: Slightly soluble (0.59 g/l) (25 o C),
  • PSA: 26.02
  • LogP: 3.30280

  Pricemore >>

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