Cas no 856762-66-8 ((1R)-1-4-(propan-2-yl)phenylethan-1-amine)

(1R)-1-4-(propan-2-yl)phenylethan-1-amine structure
856762-66-8 structure
Product Name:(1R)-1-4-(propan-2-yl)phenylethan-1-amine
CAS No:856762-66-8
MF:C11H17N
MW:163.259382963181
MDL:MFCD06762200
CID:720356
PubChem ID:2063954
Update Time:2024-03-01

(1R)-1-4-(propan-2-yl)phenylethan-1-amine Chemical and Physical Properties

Names and Identifiers

    • Benzenemethanamine, a-methyl-4-(1-methylethyl)-, (aR)-
    • BENZENEMETHANAMINE, Α-METHYL-4-(1-METHYLETHYL)-, (ΑR)-
    • (1R)-1-4-(propan-2-yl)phenylethan-1-amine
    • Benzenemethanamine,a-methyl-4-(1-methylethyl)-, (aR)-
    • a-Methyl-4-(1-Methylethyl)-
    • (1R)-1-(4-propan-2-ylphenyl)ethanamine
    • (R)-1-(4-isopropylphenyl)ethan-1-amine
    • MDL： MFCD06762200
    • Inchi： 1S/C11H17N/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9H,12H2,1-3H3/t9-/m1/s1
    • InChI Key： UHAQMLODFYUKOM-SECBINFHSA-N
    • SMILES： N[C@@H](C1C=CC(C(C)C)=CC=1)C

Computed Properties

  • Exact Mass: 163.136
  • Monoisotopic Mass: 163.136
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 123
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26A^2
  • XLogP3: 2.3

Experimental Properties

  • Density: 0.923
  • Boiling Point: 236.1°C at 760 mmHg
  • Flash Point: 101.5°C
  • Refractive Index: 1.517
  • PSA: 26.02000
  • LogP: 3.53000
  • pka: 9.18±0.10(Predicted)

(1R)-1-4-(propan-2-yl)phenylethan-1-amine Pricemore >>

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