Cas no 25462-47-9 (1,3-Propanediol, 2-methyl-2-pentyl-, dicarbamate)
25462-47-9 structure
Product Name:1,3-Propanediol, 2-methyl-2-pentyl-, dicarbamate
CAS No:25462-47-9
MF:C11H22N2O4
MW:246.303383350372
CID:255803
Update Time:2023-08-02
1,3-Propanediol, 2-methyl-2-pentyl-, dicarbamate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-methyl-2-pentyl-, dicarbamate (8CI)
- 1,3-propanediol, 2-methyl-2-pentyl-, dicarbamate
- 2-[(Carbamoyloxy)methyl]-2-methylheptyl carbamate
- 2-Methyl-2-pentyl-1,3-propanediol dicarbamate
- Dicarbamic acid 2-methyl-2-pentyltrimethylene ester
- 1,3-Propanediol, 2-methyl-2-pentyl-, dicarbamate
-
- Inchi： 1S/C11H22N2O4/c1-3-4-5-6-11(2,7-16-9(12)14)8-17-10(13)15/h3-8H2,1-2H3,(H2,12,14)(H2,13,15)
- InChI Key： KRYLGICXMCHFHB-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CC(C)(COC(N)=O)CCCCC
- BRN： 2974053
Computed Properties
- Exact Mass: 246.158
- Monoisotopic Mass: 246.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 10
- Complexity: 238
- 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: 1.8
- Topological Polar Surface Area: 105
Experimental Properties
- Density: 1.097
- Boiling Point: 451.1°C at 760 mmHg
- Flash Point: 216.6°C
- Refractive Index: 1.478
1,3-Propanediol, 2-methyl-2-pentyl-, dicarbamate Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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