Cas no 25450-97-9 (1,3-Propanediol,2-ethyl-2-(1-ethylpropyl)-, dicarbamate (8CI))
25450-97-9 structure
Product Name:1,3-Propanediol,2-ethyl-2-(1-ethylpropyl)-, dicarbamate (8CI)
CAS No:25450-97-9
MF:C12H24N2O4
MW:260.329963684082
CID:255314
PubChem ID:212994
Update Time:2025-04-19
1,3-Propanediol,2-ethyl-2-(1-ethylpropyl)-, dicarbamate (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Propanediol,2-ethyl-2-(1-ethylpropyl)-, dicarbamate (8CI)
- 1,3-Propanediol, 2-ethyl-2-(1-ethylpropyl)-, dicarbamate
- BRN 1912474
- 25450-97-9
- 2-Ethyl-2-(1-ethylpropyl)-1,3-propanediol dicarbamate
-
- Inchi： 1S/C12H24N2O4/c1-4-9(5-2)12(6-3,7-17-10(13)15)8-18-11(14)16/h9H,4-8H2,1-3H3,(H2,13,15)(H2,14,16)
- InChI Key： FAAGKIFSYGSURO-UHFFFAOYSA-N
- SMILES： O(C(N)=O)CC(COC(N)=O)(CC)C(CC)CC
Computed Properties
- Exact Mass: 260.174
- Monoisotopic Mass: 260.174
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 259
- 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: 2.3
- Topological Polar Surface Area: 105?2
Experimental Properties
- Density: 1.078
- Boiling Point: 454.2°C at 760 mmHg
- Flash Point: 205.6°C
- Refractive Index: 1.476
1,3-Propanediol,2-ethyl-2-(1-ethylpropyl)-, dicarbamate (8CI) Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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