Cas no 120512-37-0 (a1,a1,5-Trimethyl-1,3-benzenediacetonitrile)

a1,a1,5-Trimethyl-1,3-benzenediacetonitrile structure
120512-37-0 structure
Product Name:a1,a1,5-Trimethyl-1,3-benzenediacetonitrile
CAS No:120512-37-0
MF:C13H14N2
MW:198.263662815094
CID:1059514
PubChem ID:17769394
Update Time:2025-04-20

a1,a1,5-Trimethyl-1,3-benzenediacetonitrile Chemical and Physical Properties

Names and Identifiers

    • α1,α1,5-Trimethyl-1,3-benzenediacetonitrile
    • α1,α1,5-Trimethyl-1,
    • 2-[3-(cyanomethyl)-5-methylphenyl]-2-methylpropanenitrile
    • α,α,5-TriMethyl-1,3-benzenediacetonitrile
    • alpha,alpha,5-Trimethyl-1,3-benzenediacetonitrile
    • SCHEMBL10700783
    • a1,a1,5-Trimethyl-1,3-benzenediacetonitrile
    • 120512-37-0
    • DTXSID90590900
    • ALPHA1,ALPHA1,5-TRIMETHYL-1,3-BENZENEDIACETONITRILE
    • 2-(3-(Cyanomethyl)-5-methylphenyl)-2-methylpropanenitrile
    • Inchi： 1S/C13H14N2/c1-10-6-11(4-5-14)8-12(7-10)13(2,3)9-15/h6-8H,4H2,1-3H3
    • InChI Key： ARDBNOAEHWGCOO-UHFFFAOYSA-N
    • SMILES： N#CC(C)(C)C1C=C(C)C=C(CC#N)C=1

Computed Properties

  • Exact Mass: 198.11600
  • Monoisotopic Mass: 198.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 312
  • 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: 2.5
  • Topological Polar Surface Area: 47.6?2

Experimental Properties

  • PSA: 47.58000
  • LogP: 2.86226

a1,a1,5-Trimethyl-1,3-benzenediacetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
T795795-25mg
a1,a1,5-Trimethyl-1,3-benzenediacetonitrile
 120512-37-0
25mg
 $ 138.00 2023-09-05
TRC
T795795-50 mg
α1,α1,5-Trimethyl-1,3-benzenediacetonitrile
 120512-37-0
50mg
 195.00 2021-07-16
TRC
T795795-100 mg
α1,α1,5-Trimethyl-1,3-benzenediacetonitrile
 120512-37-0
100MG
 365.00 2021-07-16
TRC
T795795-250 mg
α1,α1,5-Trimethyl-1,3-benzenediacetonitrile
 120512-37-0
250MG
 880.00 2021-07-16
TRC
T795795-500 mg
α1,α1,5-Trimethyl-1,3-benzenediacetonitrile
 120512-37-0
500MG
 1555.00 2021-07-16
TRC
T795795-50mg
a1,a1,5-Trimethyl-1,3-benzenediacetonitrile
 120512-37-0
50mg
 $242.00 2023-05-17
TRC
T795795-100mg
a1,a1,5-Trimethyl-1,3-benzenediacetonitrile
 120512-37-0
100mg
 $448.00 2023-05-17
TRC
T795795-250mg
a1,a1,5-Trimethyl-1,3-benzenediacetonitrile
 120512-37-0
250mg
 $1074.00 2023-05-17
TRC
T795795-500mg
a1,a1,5-Trimethyl-1,3-benzenediacetonitrile
 120512-37-0
500mg
 $1895.00 2023-05-17
A2B Chem LLC
AE15099-25mg
α1,α1,5-Trimethyl-1,3-benzenediacetonitrile
 120512-37-0
25mg
 $255.00 2024-04-20

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