Cas no 6946-78-7 (Carbamic acid,dicyclohexyl-, methyl ester (9CI))
6946-78-7 structure
Product Name:Carbamic acid,dicyclohexyl-, methyl ester (9CI)
CAS No:6946-78-7
MF:C14H25NO2
MW:239.353804349899
CID:513738
PubChem ID:245410
Update Time:2025-04-19
Carbamic acid,dicyclohexyl-, methyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,dicyclohexyl-, methyl ester (9CI)
- NSC-57362
- AKOS003865905
- 6946-78-7
- NSC57362
- DTXSID60989362
- methyl dicyclohexylcarbamate
-
- Inchi： 1S/C14H25NO2/c1-17-14(16)15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h12-13H,2-11H2,1H3
- InChI Key： UNATYQAPLMOSPU-UHFFFAOYSA-N
- SMILES： O(C)C(N(C1CCCCC1)C1CCCCC1)=O
Computed Properties
- Exact Mass: 239.18865
- Monoisotopic Mass: 239.189
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 225
- 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: 3.7
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- Density: 1.02
- Boiling Point: 331.2°C at 760 mmHg
- Flash Point: 154.1°C
- Refractive Index: 1.499
- PSA: 29.54
Carbamic acid,dicyclohexyl-, methyl ester (9CI) Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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3. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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