Cas no 1471-51-8 (1,3-Propanediol,2-butyl-2-ethyl-, 1,3-dicarbamate)
1471-51-8 structure
Product Name:1,3-Propanediol,2-butyl-2-ethyl-, 1,3-dicarbamate
CAS No:1471-51-8
MF:C11H22N2O4
MW:246.303383350372
CID:172975
PubChem ID:73856
Update Time:2025-04-19
1,3-Propanediol,2-butyl-2-ethyl-, 1,3-dicarbamate Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-butyl-2-ethyl-, 1,3-dicarbamate
- [2-(carbamoyloxymethyl)-2-ethylhexyl] carbamate
- 2-Butyl-2-ethyl-1,3-propanediol 1,3-dicarbamate
- 1,3-propanediol, 2-butyl-2-ethyl-, dicarbamate
- 2-[(Carbamoyloxy)methyl]-2-ethylhexyl carbamate
- Ebubamate
- 2-Butyl-2-ethyl-1,3-propanediol dicarbamate
- [2-(Carbamoyloxymethyl)-2-ethylhexyl]carbamate
- 1471-51-8
- DTXSID90163592
- 2-Ethyl-2-n-butyl-1,3-propanediol dicarbamate
- BRN 1793618
-
- Inchi： 1S/C11H22N2O4/c1-3-5-6-11(4-2,7-16-9(12)14)8-17-10(13)15/h3-8H2,1-2H3,(H2,12,14)(H2,13,15)
- InChI Key： OAUQNCDVPLLEAH-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CC(COC(N)=O)(CC)CCCC
Computed Properties
- Exact Mass: 246.15806
- Monoisotopic Mass: 246.157957
- 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
- Topological Polar Surface Area: 105
- XLogP3: 1.8
Experimental Properties
- Density: 1.097
- Boiling Point: 451.1°Cat760mmHg
- Flash Point: 216.6°C
- Refractive Index: 1.478
- PSA: 104.64
1,3-Propanediol,2-butyl-2-ethyl-, 1,3-dicarbamate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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