Cas no 32156-80-2 (Deriphyllin)
Deriphyllin structure
Product Name:Deriphyllin
CAS No:32156-80-2
MF:C11H19N5O4
MW:285.299661874771
CID:306464
PubChem ID:122562
Update Time:2025-04-19
Deriphyllin Chemical and Physical Properties
Names and Identifiers
-
- Deriphyllin
- Adisne {Diethanolamine}
- Q27293506
- X3D62BXX1R
- 1,3-dimethyl-7H-purine-2,6-dione;2-(2-hydroxyethylamino)ethanol
- 32156-80-2
- THEOPHYLLINE DIETHANOLAMINE [MI]
- Theophylline diethanolamine
- Hydroxyethyltheophylline complet
- 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione--2,2'-azanediyldi(ethan-1-ol) (1/1)
- SCHEMBL8494464
- UNII-X3D62BXX1R
- DTXSID90954028
-
- Inchi： 1S/C7H8N4O2.C4H11NO2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;6-3-1-5-2-4-7/h3H,1-2H3,(H,8,9);5-7H,1-4H2
- InChI Key： XYBFIZMXHHNHKG-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=CN2)N(C)C(N1C)=O.OCCNCCO
Computed Properties
- Exact Mass: 285.14387
- Monoisotopic Mass: 285.144
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 296
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 122?2
Experimental Properties
- Boiling Point: 454.1°Cat760mmHg
- Flash Point: 228.4°C
- PSA: 121.79
Deriphyllin Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
32156-80-2 (Deriphyllin) Related Products
- 31542-62-8(1,3-Dipropylxanthine)
- 41078-02-8(Enprofylline)
- 5967-84-0(Theophylline monohydrate)
- 317-34-0(Aminophylline)
- 1076-22-8(3-Methylxanthine)
- 109987-37-3(1H-Purine-2,6-dione-2-13C,3,7-dihydro-1-(methyl-d3)- (9CI))
- 5634-34-4(1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1))
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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