Cas no 79353-04-1 (6H-Purin-6-one,2-amino-9-[(2-aminoethoxy)methyl]-1,9-dihydro-)
![6H-Purin-6-one,2-amino-9-[(2-aminoethoxy)methyl]-1,9-dihydro- structure](https://ossimg.kuujia.com/scimg/79500/79353-04-1x500.png)
79353-04-1 structure
Product Name:6H-Purin-6-one,2-amino-9-[(2-aminoethoxy)methyl]-1,9-dihydro-
CAS No:79353-04-1
MF:C8H12N6O2
MW:224.219880104065
CID:563551
PubChem ID:135465372
Update Time:2025-04-19
6H-Purin-6-one,2-amino-9-[(2-aminoethoxy)methyl]-1,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,2-amino-9-[(2-aminoethoxy)methyl]-1,9-dihydro-
- 2-amino-9-(2-aminoethoxymethyl)-3H-purin-6-one
- 9-((2-aminoethoxy)methyl)guanine
- 2-amino-9-[(2-aminoethoxy)methyl]-9H-purin-6-ol
- 9H-purin-6-ol, 2-amino-9-[(2-aminoethoxy)methyl]-
- CHEMBL38124
- 6H-Purin-6-one, 2-amino-9-[(2-aminoethoxy)methyl]-1,9-dihydro-
- 9-Aemg
- 9-[(2-Aminoethoxy)methyl]guanine
- 79353-04-1
- DTXSID80229631
- SCHEMBL572050
- 2-amino-9-(2-aminoethoxymethyl)-1H-purin-6-one
- 6H-Purin-6-one, 2-amino-9-((2-aminoethoxy)methyl)-1,9-dihydro-
- 2-Amino-9-((2-aminoethoxy)methyl)-1H-purin-6(9H)-one
-
- Inchi： 1S/C8H12N6O2/c9-1-2-16-4-14-3-11-5-6(14)12-8(10)13-7(5)15/h3H,1-2,4,9H2,(H3,10,12,13,15)
- InChI Key： BKUQORFZMZLJRL-UHFFFAOYSA-N
- SMILES： O(CCN)CN1C=NC2C(NC(N)=NC1=2)=O
Computed Properties
- Exact Mass: 224.102174
- Monoisotopic Mass: 224.102174
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 307
- 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: _1.8
- Topological Polar Surface Area: 121
Experimental Properties
- Density: 1.76
- Boiling Point: 563.5°C at 760 mmHg
- Flash Point: 294.6°C
- Refractive Index: 1.786
6H-Purin-6-one,2-amino-9-[(2-aminoethoxy)methyl]-1,9-dihydro- Related Literature
-
Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
-
Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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