Cas no 3121-85-5 (1-Hexanol,5,5-dimethyl-, 1-carbamate)
3121-85-5 structure
Product Name:1-Hexanol,5,5-dimethyl-, 1-carbamate
1-Hexanol,5,5-dimethyl-, 1-carbamate Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanol,5,5-dimethyl-, 1-carbamate
- 5,5-dimethylhexyl carbamate
- Carbamic acid, 5,5-dimethylhexyl ester
- DTXSID50185139
- BRN 1904981
- 5,5-Dimethyl-1-hexanol carbamate
- 3121-85-5
- 1-HEXANOL, 5,5-DIMETHYL-, CARBAMATE
- SCHEMBL11287294
- 5,5-Dimethylhexyl ester of carbamic acid
-
- Inchi： 1S/C9H19NO2/c1-9(2,3)6-4-5-7-12-8(10)11/h4-7H2,1-3H3,(H2,10,11)
- InChI Key： UWUWSCUCCLLFFD-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CCCCC(C)(C)C
Computed Properties
- Exact Mass: 173.14167
- Monoisotopic Mass: 173.141579
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 6
- Complexity: 138
- 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: 2.5
- Topological Polar Surface Area: 52.3
Experimental Properties
- Density: 0.94
- Boiling Point: 269.2°C at 760 mmHg
- Flash Point: 100.3°C
- Refractive Index: 1.444
- PSA: 52.32
1-Hexanol,5,5-dimethyl-, 1-carbamate Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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