Cas no 19071-12-6 (Naphthalene, 2,6-bis(1-isocyanato-1-methylethyl)-)
19071-12-6 structure
Product Name:Naphthalene, 2,6-bis(1-isocyanato-1-methylethyl)-
CAS No:19071-12-6
MF:C18H18N2O2
MW:294.347724437714
CID:1383994
PubChem ID:20029335
Update Time:2025-04-20
Naphthalene, 2,6-bis(1-isocyanato-1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene, 2,6-bis(1-isocyanato-1-methylethyl)-
- 2,6-bis(2-isocyanatopropan-2-yl)naphthalene
- DTXSID60601810
- 2,6-bis(1-isocyanato-1-methylethyl)naphthalene
- TWIXZNGKWCNJKT-UHFFFAOYSA-N
- SCHEMBL10341464
- 19071-12-6
-
- Inchi： 1S/C18H18N2O2/c1-17(2,19-11-21)15-7-5-14-10-16(8-6-13(14)9-15)18(3,4)20-12-22/h5-10H,1-4H3
- InChI Key： TWIXZNGKWCNJKT-UHFFFAOYSA-N
- SMILES： O=C=NC(C)(C)C1C=CC2C=C(C=CC=2C=1)C(C)(C)N=C=O
Computed Properties
- Exact Mass: 294.13694
- Monoisotopic Mass: 294.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 453
- 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: 5.8
- Topological Polar Surface Area: 58.9?2
Experimental Properties
- PSA: 58.86
Naphthalene, 2,6-bis(1-isocyanato-1-methylethyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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