Cas no 61799-50-6 (1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(7-aminoheptyl)amino]-)
![1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(7-aminoheptyl)amino]- structure](https://ossimg.kuujia.com/scimg/62000/61799-50-6x500.png)
61799-50-6 structure
Product Name:1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(7-aminoheptyl)amino]-
CAS No:61799-50-6
MF:C10H19N5O2
MW:241.290161371231
CID:465780
PubChem ID:71392000
Update Time:2025-04-19
1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(7-aminoheptyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(7-aminoheptyl)amino]-
- 6-(7-aminoheptylamino)-1H-1,3,5-triazine-2,4-dione
- DTXSID30813822
- 61799-50-6
- 6-[(7-Aminoheptyl)amino]-1,3,5-triazine-2,4(1H,3H)-dione
-
- Inchi： 1S/C10H19N5O2/c11-6-4-2-1-3-5-7-12-8-13-9(16)15-10(17)14-8/h1-7,11H2,(H3,12,13,14,15,16,17)
- InChI Key： YPSIVBMFUGGTHZ-UHFFFAOYSA-N
- SMILES： O=C1NC(N=C(N1)NCCCCCCCN)=O
Computed Properties
- Exact Mass: 241.15407
- Monoisotopic Mass: 241.15387487g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 303
- 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: 109?2
Experimental Properties
- PSA: 108.61
1,3,5-Triazine-2,4(1H,3H)-dione, 6-[(7-aminoheptyl)amino]- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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