Cas no 53585-53-8 (1,2-Dibenzyl-3-methyl-benzene)

1,2-Dibenzyl-3-methyl-benzene structure
1,2-Dibenzyl-3-methyl-benzene structure
Product Name:1,2-Dibenzyl-3-methyl-benzene
CAS No:53585-53-8
MF:C21H20
MW:272.383505821228
CID:1079898
PubChem ID:3034397
Update Time:2025-04-20

1,2-Dibenzyl-3-methyl-benzene Chemical and Physical Properties

Names and Identifiers

    • 1,2-Dibenzyl-3-methyl-benzene
    • Dibenzylbenzene, ar-methyl derivative
    • UNII-4CIN13K9HZ
    • 53585-53-8
    • Marlotherm S
    • NS00049652
    • EINECS 258-649-2
    • DB-311389
    • UNII-49D8W0TJEK
    • Methylbis(phenylmethyl)benzene
    • 1,2-dibenzyl-3-methylbenzene
    • 115643-65-7
    • 4CIN13K9HZ
    • Q27259410
    • dibenzyltoluen
    • Benzene, methylbis(phenylmethyl)-
    • EINECS 249-706-2
    • EC 248-097-0
    • 2,3-Dibenzyltoluene
    • 49D8W0TJEK
    • Toluene, ar,ar-dibenzyl-
    • DTXSID30968361
    • Benzene, 1-methyl-2,3-bis(phenylmethyl)-
    • 26898-17-9
    • Methyldibenzylbenzene
    • Bisbenzyltoluene
    • Dibenzyl toluene
    • Toluene, dibenzyl derivative
    • EINECS 248-097-0
    • 1,1'-[(3-Methyl-1,2-phenylene)bis(methylene)]dibenzene
    • Inchi: 1S/C21H20/c1-17-9-8-14-20(15-18-10-4-2-5-11-18)21(17)16-19-12-6-3-7-13-19/h2-14H,15-16H2,1H3
    • InChI Key: PKQYSCBUFZOAPE-UHFFFAOYSA-N
    • SMILES: C1(=C(C)C=CC=C1CC1C=CC=CC=1)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 272.1566
  • Monoisotopic Mass: 272.156500638g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 282
  • 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: 6.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0
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