Cas no 112677-28-8 (1-(3,5-dimethylphenyl)guanidine)

1-(3,5-Dimethylphenyl)guanidine is a guanidine derivative characterized by the presence of a 3,5-dimethylphenyl substituent. This compound is of interest in organic synthesis and pharmaceutical research due to its guanidine functional group, which exhibits strong basicity and the ability to form stable hydrogen bonds. The dimethylphenyl moiety enhances its lipophilicity, potentially improving solubility in organic matrices. It may serve as a precursor or intermediate in the development of biologically active molecules, including enzyme inhibitors or receptor modulators. The compound’s structural features make it suitable for applications requiring precise molecular recognition or catalysis. Proper handling is advised due to the reactivity of the guanidine group.
1-(3,5-dimethylphenyl)guanidine structure
112677-28-8 structure
Product Name:1-(3,5-dimethylphenyl)guanidine
CAS No:112677-28-8
MF:C9H13N3
MW:163.219621419907
MDL:MFCD16653180
CID:1200483
PubChem ID:13952880
Update Time:2025-06-07

1-(3,5-dimethylphenyl)guanidine Chemical and Physical Properties

Names and Identifiers

    • Guanidine, (3,5-dimethylphenyl)-
    • 1-(3,5-dimethylphenyl)guanidine
    • SCHEMBL1186526
    • N-(3,5-dimethylphenyl)guanidine
    • 2-(3,5-dimethylphenyl)guanidine
    • F2158-0687
    • EN300-236613
    • 112677-28-8
    • AKOS011664941
    • SY339557
    • MDL： MFCD16653180
    • Inchi： 1S/C9H13N3/c1-6-3-7(2)5-8(4-6)12-9(10)11/h3-5H,1-2H3,(H4,10,11,12)
    • InChI Key： CHAFZGUGLLKKQE-UHFFFAOYSA-N
    • SMILES： N(=C(/N)\N)/C1C=C(C)C=C(C)C=1

Computed Properties

  • Exact Mass: 163.11109
  • Monoisotopic Mass: 163.110947427g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 163
  • 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: 1.1
  • Topological Polar Surface Area: 64.4?2

Experimental Properties

  • PSA: 61.9

1-(3,5-dimethylphenyl)guanidine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D128291-100mg
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 $ 70.00 2022-06-05
TRC
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 $ 210.00 2022-06-05
TRC
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 $ 340.00 2022-06-05
Enamine
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Enamine
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Enamine
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Enamine
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Enamine
EN300-236613-2.5g
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Enamine
EN300-236613-5.0g
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