Cas no 7450-62-6 (diethyl (4-methylbenzene-1,3-diyl)biscarbamate)
7450-62-6 structure
Product Name:diethyl (4-methylbenzene-1,3-diyl)biscarbamate
CAS No:7450-62-6
MF:C13H18N2O4
MW:266.293023586273
CID:979335
PubChem ID:343975
Update Time:2025-04-19
diethyl (4-methylbenzene-1,3-diyl)biscarbamate Chemical and Physical Properties
Names and Identifiers
-
- diethyl (4-methylbenzene-1,3-diyl)biscarbamate
- ethyl N-[3-(ethoxycarbonylamino)-4-methylphenyl]carbamate
- carbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, diethyl ester
- Diethyl (4-methyl-1,3-phenylene)biscarbamate
- 7450-62-6
- Diethyl 2,4-tolylenedicarbamate
- NSC-511741
- 2,4-bis-(ethoxycarbonylamino)-toluene
- 2,4-bis-(ethoxy carbonyl amino)-toluene
- NCI60_003746
- Diethyl toluene-2,4-dicarbamate
- N,N'-BIS(ETHOXYCARBONYL)-4-METHYL-1,3-PHENYLENEDIAMINE
- CHEMBL1966130
- diethyl toluene- 2,4-dicarbamate
- NSC400615
- 2,4-bis-(ethoxy carbonylamino)-toluene
- SCHEMBL473082
- AKOS024335278
- NSC511741
- 9BPS39R85H
- UNII-9BPS39R85H
- 2,4-Bis(ethoxycarbonylamino)toluene
- diethyl 2,4-toluendicarbamate
- 1-Methyl-2,4-bis(ethoxycarbonylamino)benzene
- ST50550156
- DTXSID80322176
- Carbamic acid, N,N'-(4-methyl-1,3-phenylene)bis-, C,C'-diethyl ester
- PHYURWGMBQTCSY-UHFFFAOYSA-N
- NSC-400615
- DS-011083
- Ethyl n-[5-(ethoxycarbonylamino)-2-methyl-phenyl]carbamate
-
- Inchi： 1S/C13H18N2O4/c1-4-18-12(16)14-10-7-6-9(3)11(8-10)15-13(17)19-5-2/h6-8H,4-5H2,1-3H3,(H,14,16)(H,15,17)
- InChI Key： PHYURWGMBQTCSY-UHFFFAOYSA-N
- SMILES： O(CC)C(NC1C=C(C=CC=1C)NC(=O)OCC)=O
Computed Properties
- Exact Mass: 266.12674
- Monoisotopic Mass: 266.127
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 309
- 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: 1.9
- Topological Polar Surface Area: 76.7?2
Experimental Properties
- Density: 1.223
- Boiling Point: 306.4°C at 760 mmHg
- Flash Point: 139.1°C
- Refractive Index: 1.579
- PSA: 76.66
diethyl (4-methylbenzene-1,3-diyl)biscarbamate Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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