Cas no 709-93-3 (1,2-Ethanediol,1-(N-phenylcarbamate))
709-93-3 structure
Product Name:1,2-Ethanediol,1-(N-phenylcarbamate)
1,2-Ethanediol,1-(N-phenylcarbamate) Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Ethanediol,1-(N-phenylcarbamate)
- 2-hydroxyethyl N-phenylcarbamate
- DTXSID00221132
- AKOS017898769
- 2-hydroxyethyl phenylcarbamate
- SCHEMBL12459868
- MONO(PHENYLCARBAMATE)-1,2-ETHANEDIOL
- 709-93-3
-
- Inchi： 1S/C9H11NO3/c11-6-7-13-9(12)10-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,10,12)
- InChI Key： FSOVHNHKAGQLGZ-UHFFFAOYSA-N
- SMILES： O(C(NC1C=CC=CC=1)=O)CCO
Computed Properties
- Exact Mass: 181.07393
- Monoisotopic Mass: 181.073893
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 155
- 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: 1.2
- Topological Polar Surface Area: 58.6
Experimental Properties
- Density: 1.268
- Boiling Point: 274.8°C at 760 mmHg
- Flash Point: 120°C
- Refractive Index: 1.593
- PSA: 58.56
1,2-Ethanediol,1-(N-phenylcarbamate) Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
709-93-3 (1,2-Ethanediol,1-(N-phenylcarbamate)) Related Products
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