Cas no 90222-16-5 (propan-2-yl [3-(carbamoyloxy)propyl]carbamate (non-preferred name))
![propan-2-yl [3-(carbamoyloxy)propyl]carbamate (non-preferred name) structure](https://ossimg.kuujia.com/scimg/90500/90222-16-5x500.png)
90222-16-5 structure
Product Name:propan-2-yl [3-(carbamoyloxy)propyl]carbamate (non-preferred name)
CAS No:90222-16-5
MF:C8H16N2O4
MW:204.223642349243
CID:1949498
PubChem ID:56049
Update Time:2025-04-21
propan-2-yl [3-(carbamoyloxy)propyl]carbamate (non-preferred name) Chemical and Physical Properties
Names and Identifiers
-
- propan-2-yl [3-(carbamoyloxy)propyl]carbamate (non-preferred name)
- DTXCID60160558
- Isopropyl (3-carbamoyloxypropyl)carbamate
- DTXSID40238067
- 90222-16-5
- CARBAMIC ACID, (3-HYDROXYPROPYL)-, ISOPROPYL ESTER, CARBAMATE
-
- Inchi： 1S/C8H16N2O4/c1-6(2)14-8(12)10-4-3-5-13-7(9)11/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
- InChI Key： CMTFAFHOSNUZPC-UHFFFAOYSA-N
- SMILES： O(C(NCCCOC(N)=O)=O)C(C)C
Computed Properties
- Exact Mass: 204.111007
- Monoisotopic Mass: 204.111007
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 194
- 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: 90.6
- XLogP3: 0.4
Experimental Properties
- Density: 1.131
- Boiling Point: 389.3°C at 760 mmHg
- Flash Point: 189.2°C
- Refractive Index: 1.463
propan-2-yl [3-(carbamoyloxy)propyl]carbamate (non-preferred name) Related Literature
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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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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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