Cas no 31035-85-5 (Carbamic acid,dimethyl-, trimethylene ester (8CI))
31035-85-5 structure
Product Name:Carbamic acid,dimethyl-, trimethylene ester (8CI)
CAS No:31035-85-5
MF:C9H18N2O4
MW:218.250222682953
CID:320530
PubChem ID:352011
Update Time:2025-04-19
Carbamic acid,dimethyl-, trimethylene ester (8CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,dimethyl-, trimethylene ester (8CI)
- 3-(dimethylcarbamoyloxy)propyl N,N-dimethylcarbamate
- AC1L6ZJH
- NSC524356
- Propan-1,3-diyl bis(N,N-dimethylcarbamat)
- 31035-85-5
- DTXSID20326138
- NSC-524356
-
- Inchi： 1S/C9H18N2O4/c1-10(2)8(12)14-6-5-7-15-9(13)11(3)4/h5-7H2,1-4H3
- InChI Key： KDXQDGNWYFVQQD-UHFFFAOYSA-N
- SMILES： O(C(N(C)C)=O)CCCOC(N(C)C)=O
Computed Properties
- Exact Mass: 218.12674
- Monoisotopic Mass: 218.12665706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- 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
- XLogP3: 0.4
- Topological Polar Surface Area: 59.1?2
Experimental Properties
- PSA: 59.08
- LogP: 0.77290
Carbamic acid,dimethyl-, trimethylene ester (8CI) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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