Cas no 1513957-94-2 (3-isocyanato-1,1-dimethylcyclohexane)

3-isocyanato-1,1-dimethylcyclohexane structure
1513957-94-2 structure
Product Name:3-isocyanato-1,1-dimethylcyclohexane
CAS No:1513957-94-2
MF:C9H15NO
MW:153.221502542496
MDL:MFCD24126939
CID:5244234
PubChem ID:22169204
Update Time:2024-03-01

3-isocyanato-1,1-dimethylcyclohexane Chemical and Physical Properties

Names and Identifiers

    • Cyclohexane, 3-isocyanato-1,1-dimethyl-
    • 3-isocyanato-1,1-dimethylcyclohexane
    • MDL: MFCD24126939
    • Inchi: 1S/C9H15NO/c1-9(2)5-3-4-8(6-9)10-7-11/h8H,3-6H2,1-2H3
    • InChI Key: XQUOGJLXKFAIQC-UHFFFAOYSA-N
    • SMILES: C1(C)(C)CCCC(N=C=O)C1

Computed Properties

  • Exact Mass: 153.115364102g/mol
  • Monoisotopic Mass: 153.115364102g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 180
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 29.4?2

3-isocyanato-1,1-dimethylcyclohexane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-281189-1g
3-isocyanato-1,1-dimethylcyclohexane
1513957-94-2
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$842.0 2023-09-09
Enamine
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3-isocyanato-1,1-dimethylcyclohexane
1513957-94-2 95.0%
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Enamine
EN300-281189-0.1g
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1513957-94-2 95.0%
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$741.0 2025-03-19
Enamine
EN300-281189-0.25g
3-isocyanato-1,1-dimethylcyclohexane
1513957-94-2 95.0%
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Enamine
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1513957-94-2 95.0%
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Enamine
EN300-281189-1.0g
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1513957-94-2 95.0%
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Enamine
EN300-281189-2.5g
3-isocyanato-1,1-dimethylcyclohexane
1513957-94-2 95.0%
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$1650.0 2025-03-19
Enamine
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