Cas no 1146-18-5 (1,3-Propanediol,2-cyclohexyl-2-methyl-, 1,3-bis(hydrogen carbamate))
1146-18-5 structure
Product Name:1,3-Propanediol,2-cyclohexyl-2-methyl-, 1,3-bis(hydrogen carbamate)
CAS No:1146-18-5
MF:C12H22N2O4
MW:258.314083576202
CID:169521
PubChem ID:121363
Update Time:2025-04-19
1,3-Propanediol,2-cyclohexyl-2-methyl-, 1,3-bis(hydrogen carbamate) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-cyclohexyl-2-methyl-, 1,3-bis(hydrogen carbamate)
- 2-Cyclohexyl-2-methylpropane-1,3-diyl bis(hydrogen carbonimidate)
- 2-Cyclohexyl-2-methyl-1,3-propanediol dicarbamate
- 1146-18-5
- DTXSID70921430
- 1,3-Propanediol, 2-cyclohexyl-2-methyl-, dicarbamate
- BRN 1985064
-
- Inchi： 1S/C12H22N2O4/c1-12(7-17-10(13)15,8-18-11(14)16)9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H2,13,15)(H2,14,16)
- InChI Key： BXDCHFVFANYXKP-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CC(C)(COC(N)=O)C1CCCCC1
Computed Properties
- Exact Mass: 258.15806
- Monoisotopic Mass: 258.157957
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 283
- 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: 2.3
Experimental Properties
- Density: 1.173
- Boiling Point: 485.4°Cat760mmHg
- Flash Point: 241.4°C
- Refractive Index: 1.509
- PSA: 104.64
1,3-Propanediol,2-cyclohexyl-2-methyl-, 1,3-bis(hydrogen carbamate) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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