Cas no 1142-84-3 (1,3-Propanediol,2-cyclopentyl-2-methyl-, 1,3-bis(hydrogen carbamate))
1142-84-3 structure
Product Name:1,3-Propanediol,2-cyclopentyl-2-methyl-, 1,3-bis(hydrogen carbamate)
CAS No:1142-84-3
MF:C11H20N2O4
MW:244.287503242493
CID:202358
PubChem ID:14363
Update Time:2025-04-19
1,3-Propanediol,2-cyclopentyl-2-methyl-, 1,3-bis(hydrogen carbamate) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-cyclopentyl-2-methyl-, 1,3-bis(hydrogen carbamate)
- 1142-84-3
- 607MJL3IF3
- 1,3-Propanediol, 2-cyclopentyl-2-methyl-, 1,3-dicarbamate
- SU-8746
- 1,3-Propanediol, 2-cyclopentyl-2-methyl-, dicarbamate
- 2-Cyclopentyl-2-methyl-1,3-propanediol dicarbamate
- TY47550000
- UNII-607MJL3IF3
- 2-CYCLOPENTYL-2-METHYL-1,3-PROPANE-DIOL DICARBAMATE
- 2-Ciclopentil-2-metilpropan-1,3-diolo dicarbammato
- NIOSH/TY4755000
- 2-Ciclopentil-2-metilpropan-1,3-diolo dicarbammato [Italian]
- Carbamic acid, 2-cyclopentyl-2-methyltrimethylene ester
-
- Inchi： 1S/C11H20N2O4/c1-11(6-16-9(12)14,7-17-10(13)15)8-4-2-3-5-8/h8H,2-7H2,1H3,(H2,12,14)(H2,13,15)
- InChI Key： MYCUGBCULANECB-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CC(C)(COC(N)=O)C1CCCC1
Computed Properties
- Exact Mass: 244.1424
- Monoisotopic Mass: 244.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 269
- 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: 105A^2
- XLogP3: 1.7
Experimental Properties
- Density: 1.207
- Boiling Point: 476°Cat760mmHg
- Flash Point: 247.3°C
- Refractive Index: 1.516
- PSA: 104.64
1,3-Propanediol,2-cyclopentyl-2-methyl-, 1,3-bis(hydrogen carbamate) Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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