Cas no 54661-99-3 (5,8,11-Trioxa-2,3,13,14-tetraazapentadecanedioicacid, 4,12-dioxo-, diethyl ester (9CI))
54661-99-3 structure
Product Name:5,8,11-Trioxa-2,3,13,14-tetraazapentadecanedioicacid, 4,12-dioxo-, diethyl ester (9CI)
CAS No:54661-99-3
MF:C12H22N4O9
MW:366.324483394623
CID:385950
PubChem ID:231401
Update Time:2025-04-19
5,8,11-Trioxa-2,3,13,14-tetraazapentadecanedioicacid, 4,12-dioxo-, diethyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5,8,11-Trioxa-2,3,13,14-tetraazapentadecanedioicacid, 4,12-dioxo-, diethyl ester (9CI)
- 2-[2-[(ethoxycarbonylamino)carbamoyloxy]ethoxy]ethyl N-(ethoxycarbonylamino)carbamate
- 4,12-Dioxo-5,8,11-trioxa-2,3,13,14-tetraaza-pentadecandisaeure-diaethylester
- Diaethylenglykol-bis-aethylhydrazodicarboxylat
- diethyl 4,12-dioxo-5,8,11-trioxa-2,3,13,14-tetraazapentadecane-1,15-dioate
- NSC27576
- DTXSID70282715
- NSC-27576
- 54661-99-3
-
- Inchi： 1S/C12H22N4O9/c1-3-22-9(17)13-15-11(19)24-7-5-21-6-8-25-12(20)16-14-10(18)23-4-2/h3-8H2,1-2H3,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
- InChI Key： NYUIZQQQAYUWBO-UHFFFAOYSA-N
- SMILES： O(CCOC(NNC(=O)OCC)=O)CCOC(NNC(=O)OCC)=O
Computed Properties
- Exact Mass: 366.13900
- Monoisotopic Mass: 366.139
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 25
- Rotatable Bond Count: 12
- Complexity: 395
- 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: 163?2
Experimental Properties
- Density: 1.298
- Boiling Point: 503.7°Cat760mmHg
- Flash Point: 258.4°C
- Refractive Index: 1.484
- PSA: 162.55000
- LogP: 1.34120
5,8,11-Trioxa-2,3,13,14-tetraazapentadecanedioicacid, 4,12-dioxo-, diethyl ester (9CI) Related Literature
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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