Cas no 87498-87-1 (Benzene, 1,3,5-tris(1-isocyanato-1-methylethyl)-)
87498-87-1 structure
Product Name:Benzene, 1,3,5-tris(1-isocyanato-1-methylethyl)-
CAS No:87498-87-1
MF:C18H21N3O3
MW:327.377644300461
CID:655677
PubChem ID:13827808
Update Time:2025-04-19
Benzene, 1,3,5-tris(1-isocyanato-1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,3,5-tris(1-isocyanato-1-methylethyl)-
- 1,3,5-tris(2-isocyanatopropan-2-yl)benzene
- 87498-87-1
- DTXSID80550634
- SCHEMBL10501362
-
- Inchi： 1S/C18H21N3O3/c1-16(2,19-10-22)13-7-14(17(3,4)20-11-23)9-15(8-13)18(5,6)21-12-24/h7-9H,1-6H3
- InChI Key： JYEFXLLEDLBLOB-UHFFFAOYSA-N
- SMILES： O=C=NC(C)(C)C1C=C(C=C(C=1)C(C)(C)N=C=O)C(C)(C)N=C=O
Computed Properties
- Exact Mass: 327.15829154g/mol
- Monoisotopic Mass: 327.15829154g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 507
- 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: 5.9
- Topological Polar Surface Area: 88.3?2
Benzene, 1,3,5-tris(1-isocyanato-1-methylethyl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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