Cas no 78149-92-5 (1,5-Pentanediol,dicarbamate (9CI))
78149-92-5 structure
Product Name:1,5-Pentanediol,dicarbamate (9CI)
CAS No:78149-92-5
MF:C7H14N2O4
MW:190.197062015533
CID:568559
PubChem ID:3060474
Update Time:2025-04-19
1,5-Pentanediol,dicarbamate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Pentanediol,dicarbamate (9CI)
- Carbamic acid, pentamethylene ester
- 5-carbamoyloxypentyl carbamate
- DTXSID40228802
- 1,5-Pentanediol, dicarbamate
- 78149-92-5
- pentane-1,5-diyl dicarbamate
- AKOS006280153
- SCHEMBL2746089
- BRN 1782755
-
- Inchi: 1S/C7H14N2O4/c8-6(10)12-4-2-1-3-5-13-7(9)11/h1-5H2,(H2,8,10)(H2,9,11)
- InChI Key: NEMGHZMONCORDC-UHFFFAOYSA-N
- SMILES: O(C(N)=O)CCCCCOC(N)=O
Computed Properties
- Exact Mass: 190.095
- Monoisotopic Mass: 190.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 154
- 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: -0.1
- Topological Polar Surface Area: 105?2
Experimental Properties
- Density: 1.2
- Boiling Point: 435.4°C at 760 mmHg
- Flash Point: 257.7°C
- Refractive Index: 1.481
1,5-Pentanediol,dicarbamate (9CI) Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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