Cas no 133805-35-3 (N-(20-amino-4,8,12,17-tetraazaicos-1-yl)-2,5-dihydroxybenzamide)
133805-35-3 structure
Product Name:N-(20-amino-4,8,12,17-tetraazaicos-1-yl)-2,5-dihydroxybenzamide
CAS No:133805-35-3
MF:C23H44N6O3
MW:452.633865356445
CID:1234216
PubChem ID:179257
Update Time:2025-04-20
N-(20-amino-4,8,12,17-tetraazaicos-1-yl)-2,5-dihydroxybenzamide Chemical and Physical Properties
Names and Identifiers
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- N-(20-amino-4,8,12,17-tetraazaicos-1-yl)-2,5-dihydroxybenzamide
- N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propylamino]propyl]-2,5-dihydroxybenzamide
- alpha-Agatoxin AG 452a
- Benzamide, N-(20-amino-4,8,12,17-tetraazaeicos-1-yl)-2,5-dihydroxy-
- DTXSID90158382
- 133805-35-3
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- Inchi： 1S/C23H44N6O3/c24-9-3-12-25-10-1-2-11-26-13-4-14-27-15-5-16-28-17-6-18-29-23(32)21-19-20(30)7-8-22(21)31/h7-8,19,25-28,30-31H,1-6,9-18,24H2,(H,29,32)
- InChI Key： JLMPLFOTMMZOJF-UHFFFAOYSA-N
- SMILES： O=C(C1C=C(C=CC=1O)O)NCCCNCCCNCCCNCCCCNCCCN
Computed Properties
- Exact Mass: 452.34782
- Monoisotopic Mass: 452.34748929g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 32
- Rotatable Bond Count: 21
- Complexity: 444
- 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: 0.5
- Topological Polar Surface Area: 144?2
Experimental Properties
- PSA: 143.7
N-(20-amino-4,8,12,17-tetraazaicos-1-yl)-2,5-dihydroxybenzamide Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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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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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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