Cas no 139729-85-4 (Phenol, 2-amino-5-(1-methylethyl)- (9CI))

Phenol, 2-amino-5-(1-methylethyl)- (9CI), is a substituted phenolic compound featuring an amino group and an isopropyl moiety. Its structure lends utility in organic synthesis, particularly as an intermediate for pharmaceuticals, agrochemicals, and specialty chemicals. The compound offers reactivity at both the phenolic and amino sites, enabling versatile functionalization. Its stability and selectivity make it valuable for fine chemical applications.
Phenol, 2-amino-5-(1-methylethyl)- (9CI) structure
139729-85-4 structure
Product Name:Phenol, 2-amino-5-(1-methylethyl)- (9CI)
CAS No:139729-85-4
MF:C9H13NO
MW:151.205622434616
CID:902920
PubChem ID:21184834
Update Time:2025-06-20

Phenol, 2-amino-5-(1-methylethyl)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Phenol, 2-amino-5-(1-methylethyl)- (9CI)
    • 2-amino-5-isopropylphenol
    • 2-amino-5-propan-2-ylphenol
    • MB22521
    • G69979
    • 139729-85-4
    • ZB0507
    • SCHEMBL5595265
    • 2-AMINO-5-(1-METHYLETHYL)-PHENOL
    • 2-AMINO-5-(PROPAN-2-YL)PHENOL
    • IFCGVNYNIRTWNU-UHFFFAOYSA-N
    • MDL: MFCD16997160
    • Inchi: 1S/C9H13NO/c1-6(2)7-3-4-8(10)9(11)5-7/h3-6,11H,10H2,1-2H3
    • InChI Key: IFCGVNYNIRTWNU-UHFFFAOYSA-N
    • SMILES: OC1=C(C=CC(=C1)C(C)C)N

Computed Properties

  • Exact Mass: 151.09979
  • Monoisotopic Mass: 151.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 125
  • 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: 2
  • Topological Polar Surface Area: 46.2?2

Experimental Properties

  • PSA: 46.25

Phenol, 2-amino-5-(1-methylethyl)- (9CI) Pricemore >>

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