Cas no 3291-07-4 (2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole)

2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole structure
3291-07-4 structure
Product Name:2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CAS No:3291-07-4
MF:C8H12N2
MW:136.194281578064
CID:1453959
PubChem ID:13248792
Update Time:2025-04-20

2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole, 4,5,6,7-tetrahydro-2-methyl-
    • 2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
    • 2-methyl-4,5,6,7-tetrahydro-1H-benzimidazole
    • 3291-07-4
    • XMLUAPAWXDNVTM-UHFFFAOYSA-N
    • AKOS017518616
    • EN300-120422
    • 2-Methyl-4,5,6,7-tetrahydro-1H-benzoimidazole
    • MFCD18431832
    • 4,5,6,7-Tetrahydro-2-methyl-1H-benzimidazole
    • Z1255506508
    • 2-methyl-4,5,6,7-tetrahydrobenzimidazole
    • SCHEMBL171272
    • SY147625
    • DTXSID101346509
    • DB-152995
    • 2-methyl-4,5,6,7-tetrahydro-1H-benzo[d]imidazole
    • F2196-0120
    • Inchi： 1S/C8H12N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H2,1H3,(H,9,10)
    • InChI Key： XMLUAPAWXDNVTM-UHFFFAOYSA-N
    • SMILES： N1C(C)=NC2=C1CCCC2

Computed Properties

  • Exact Mass: 136.10016
  • Monoisotopic Mass: 136.100048391g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 124
  • 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: 1.5
  • Topological Polar Surface Area: 28.7?2

Experimental Properties

  • PSA: 28.68

2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole Pricemore >>

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