Cas no 90977-96-1 (Cyclohexane,1-isocyanato-1-(1-methylethyl)-)
90977-96-1 structure
Product Name:Cyclohexane,1-isocyanato-1-(1-methylethyl)-
CAS No:90977-96-1
MF:C10H17NO
MW:167.248082876205
CID:799062
PubChem ID:45096362
Update Time:2025-04-19
Cyclohexane,1-isocyanato-1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexane,1-isocyanato-1-(1-methylethyl)-
- 1-isocyanato-1-propan-2-ylcyclohexane
- Isocyanic acid, 1-isopropylcyclohexyl ester (7CI)
- 90977-96-1
- DTXSID40667479
- 1-Isocyanato-1-(propan-2-yl)cyclohexane
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- Inchi： 1S/C10H17NO/c1-9(2)10(11-8-12)6-4-3-5-7-10/h9H,3-7H2,1-2H3
- InChI Key： PHFOIBAZFYYSLT-UHFFFAOYSA-N
- SMILES： O=C=NC1(C(C)C)CCCCC1
Computed Properties
- Exact Mass: 167.131014166g/mol
- Monoisotopic Mass: 167.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 186
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.9
- Topological Polar Surface Area: 29.4?2
Cyclohexane,1-isocyanato-1-(1-methylethyl)- Related Literature
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
90977-96-1 (Cyclohexane,1-isocyanato-1-(1-methylethyl)-) Related Products
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