Cas no 14612-26-1 (9H-Purin-6-aminium,N,N,N-trimethyl-, inner salt)
14612-26-1 structure
Product Name:9H-Purin-6-aminium,N,N,N-trimethyl-, inner salt
CAS No:14612-26-1
MF:C8H11N5
MW:177.206440210342
CID:203223
PubChem ID:21144219
Update Time:2025-04-19
9H-Purin-6-aminium,N,N,N-trimethyl-, inner salt Chemical and Physical Properties
Names and Identifiers
-
- 9H-Purin-6-aminium,N,N,N-trimethyl-, inner salt
- 6-Trimethylaminio-7H-purin-7-ide
- trimethyl(purin-9-id-6-yl)azanium
- 1H-Purin-6-aminium,N,N,N-trimethyl-, inner salt (9CI)
- 6-Trimethylammoniopurinide
- Ammonium, trimethylpurin-6-yl-, hydroxide,inner salt (8CI)
- Alpurine
- 14612-26-1
- DTXSID50610996
- NSC92189
- 6-(Trimethylazaniumyl)purin-9-ide
- NSC-92189
- 1H-Purin-6-aminium,N,N-trimethyl-, hydroxide, inner salt
-
- Inchi： 1S/C8H11N5/c1-13(2,3)8-6-7(10-4-9-6)11-5-12-8/h4-5H,1-3H3
- InChI Key： XOWCNIATQMMHBQ-UHFFFAOYSA-N
- SMILES： [N+](C)(C)(C)C1C2=C([N-]C=N2)N=CN=1
Computed Properties
- Exact Mass: 57.9587
- Monoisotopic Mass: 177.101
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 188
- 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
- Topological Polar Surface Area: 39.7A^2
- XLogP3: 0.2
Experimental Properties
- Density: g/cm3
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 0
9H-Purin-6-aminium,N,N,N-trimethyl-, inner salt Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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