Cas no 25385-22-2 (2-Ethyl-2-isopropyl-1,3-propanediol carbamate isopropylcarbamate)
25385-22-2 structure
Product Name:2-Ethyl-2-isopropyl-1,3-propanediol carbamate isopropylcarbamate
CAS No:25385-22-2
MF:C13H26N2O4
MW:274.356544017792
CID:254594
Update Time:2023-08-02
2-Ethyl-2-isopropyl-1,3-propanediol carbamate isopropylcarbamate Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,isopropyl-, 2-ethyl-2-(hydroxymethyl)-3-methylbutyl ester carbamate (ester)(6CI,8CI)
- 2-[(Carbamoyloxy)methyl]-2-ethyl-3-methylbutyl isopropylcarbamate
- carbamic acid, N-(1-methylethyl)-, 2-[[(aminocarbonyl)oxy]methyl]-2-ethyl-3-methylbutyl ester
- 2-Ethyl-2-isopropyl-1,3-propanediol carbamate isopropylcarbamate
- 1,3-Propanediol, 2-ethyl-2-isopropyl-, carbamate, isopropylcarbamate
- N-Isopropylcarbamic acid 2-(carbamoyloxymethyl)-2-ethyl-3-methylbutyl ester
-
- Inchi： 1S/C13H26N2O4/c1-6-13(9(2)3,7-18-11(14)16)8-19-12(17)15-10(4)5/h9-10H,6-8H2,1-5H3,(H2,14,16)(H,15,17)
- InChI Key： GMCIKUIXWWYNKS-UHFFFAOYSA-N
- SMILES： O(C(NC(C)C)=O)CC(COC(N)=O)(CC)C(C)C
- BRN： 3054460
Computed Properties
- Exact Mass: 274.189
- Monoisotopic Mass: 274.189
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 9
- Complexity: 305
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 90.6
Experimental Properties
- Density: 1.041
- Boiling Point: 429.5°C at 760 mmHg
- Flash Point: 213.6°C
- Refractive Index: 1.465
2-Ethyl-2-isopropyl-1,3-propanediol carbamate isopropylcarbamate Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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