Cas no 50837-30-4 (2,4,6,8,10,12,14,16-Octaazaheptadecanediamide, 5,9,13-trioxo-)
50837-30-4 structure
Product Name:2,4,6,8,10,12,14,16-Octaazaheptadecanediamide, 5,9,13-trioxo-
CAS No:50837-30-4
MF:C9H20N10O5
MW:348.31909942627
CID:363957
PubChem ID:71366425
Update Time:2025-04-19
2,4,6,8,10,12,14,16-Octaazaheptadecanediamide, 5,9,13-trioxo- Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6,8,10,12,14,16-Octaazaheptadecanediamide, 5,9,13-trioxo-
- 1,3-bis[[(carbamoylamino)methylcarbamoylamino]methyl]urea
- 50837-30-4
- DTXSID40789786
- N,N'-(3,7,11-Trioxo-2,4,6,8,10,12-hexaazatridecane-1,13-diyl)diurea
-
- Inchi： 1S/C9H20N10O5/c10-5(20)12-1-14-7(22)16-3-18-9(24)19-4-17-8(23)15-2-13-6(11)21/h1-4H2,(H3,10,12,20)(H3,11,13,21)(H2,14,16,22)(H2,15,17,23)(H2,18,19,24)
- InChI Key： YKLXJVRAOOKPPV-UHFFFAOYSA-N
- SMILES： O=C(NCNC(NCNC(N)=O)=O)NCNC(NCNC(N)=O)=O
Computed Properties
- Exact Mass: 348.1621
- Monoisotopic Mass: 348.16181378g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 10
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 430
- 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: -4.5
- Topological Polar Surface Area: 234?2
Experimental Properties
- PSA: 233.63
2,4,6,8,10,12,14,16-Octaazaheptadecanediamide, 5,9,13-trioxo- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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