Cas no 112108-86-8 (2-methyl-1H-imidazole-4-carbonitrile)

2-methyl-1H-imidazole-4-carbonitrile structure
112108-86-8 structure
Product Name:2-methyl-1H-imidazole-4-carbonitrile
CAS No:112108-86-8
MF:C5H5N3
MW:107.113300085068
MDL:MFCD12022625
CID:1099181
PubChem ID:14517197
Update Time:2025-04-20

2-methyl-1H-imidazole-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-methyl-1H-Imidazole-5-carbonitrile
    • 4-Cyano-2-methylimidazole
    • 2-methyl-1H-imidazole-4-carbonitrile
    • 2-methyl-4-cyanoimidazole
    • 4-Cyano-2-methyl-1H-imidazole
    • MFCD12022625
    • 112108-86-8
    • 1H-Imidazole-5-carbonitrile, 2-methyl-
    • DTXSID90561211
    • SCHEMBL4339951
    • GSBGWLFUGNVIFB-UHFFFAOYSA-N
    • AKOS006317720
    • DB-083009
    • SY345381
    • MFCD00233364
    • MDL： MFCD12022625
    • Inchi： 1S/C5H5N3/c1-4-7-3-5(2-6)8-4/h3H,1H3,(H,7,8)
    • InChI Key： GSBGWLFUGNVIFB-UHFFFAOYSA-N
    • SMILES： N1C(C#N)=CN=C1C

Computed Properties

  • Exact Mass: 107.04800
  • Monoisotopic Mass: 107.048347172g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 123
  • 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: 0.5
  • Topological Polar Surface Area: 52.5?2

Experimental Properties

  • Density: 1.21±0.1 g/cm3(Predicted)
  • Boiling Point: 384.4±15.0 °C(Predicted)
  • PSA: 52.47000
  • LogP: 0.58978

2-methyl-1H-imidazole-4-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB287131-1 g
4-Cyano-2-methyl-1H-imidazole, 95%; .
 112108-86-8 95%
1 g
 €976.50 2023-07-20
Enamine
EN300-345388-1g
2-methyl-1H-imidazole-4-carbonitrile
 112108-86-8
1g
 $1216.0 2023-09-03
Enamine
EN300-345388-5g
2-methyl-1H-imidazole-4-carbonitrile
 112108-86-8
5g
 $3190.0 2023-09-03
Enamine
EN300-345388-10g
2-methyl-1H-imidazole-4-carbonitrile
 112108-86-8
10g
 $4013.0 2023-09-03
abcr
AB287131-1g
4-Cyano-2-methyl-1H-imidazole, 95%; .
 112108-86-8 95%
1g
 €976.50 2025-02-20
Enamine
EN300-345388-1.0g
2-methyl-1H-imidazole-4-carbonitrile
 112108-86-8
1.0g
 $1216.0 2023-02-22
Enamine
EN300-345388-2.5g
2-methyl-1H-imidazole-4-carbonitrile
 112108-86-8
2.5g
 $2520.0 2023-09-03
Enamine
EN300-345388-5.0g
2-methyl-1H-imidazole-4-carbonitrile
 112108-86-8
5.0g
 $3190.0 2023-02-22
Enamine
EN300-345388-10.0g
2-methyl-1H-imidazole-4-carbonitrile
 112108-86-8
10.0g
 $4013.0 2023-02-22

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