Cas no 113193-97-8 (6H-Purin-6-one,2-amino-8-ethyl-1,9-dihydro-)
113193-97-8 structure
Product Name:6H-Purin-6-one,2-amino-8-ethyl-1,9-dihydro-
CAS No:113193-97-8
MF:C7H9N5O
MW:179.179260015488
CID:130080
PubChem ID:135854113
Update Time:2025-04-19
6H-Purin-6-one,2-amino-8-ethyl-1,9-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 6H-Purin-6-one,2-amino-8-ethyl-1,9-dihydro-
- 2-amino-8-ethyl-3,7-dihydropurin-6-one
- 8-ETHYLGUANINE
- 6H-Purin-6-one,2-amino-8-ethyl-1,9-dihydro
- 8-Aethyl-2-amino-1,7-dihydro-purin-6-on
- 8-ethyl-2-amino-1,7-dihydro-purin-6-one
- 2-amino-8-ethyl-6,9-dihydro-1H-purin-6-one
- DTXSID70566380
- AKOS013464891
- 113193-97-8
- SCHEMBL874735
- AKOS006279184
- 2-Amino-8-ethyl-3,7-dihydro-6H-purin-6-one
- 2-Amino-8-ethyl-1H-purin-6(9H)-one
- 2-AMINO-8-ETHYL-1,7-DIHYDROPURIN-6-ONE
- FT-0712835
-
- Inchi： 1S/C7H9N5O/c1-2-3-9-4-5(10-3)11-7(8)12-6(4)13/h2H2,1H3,(H4,8,9,10,11,12,13)
- InChI Key： NKXLJLHQYAGJLG-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=C(N)N1)N=C(CC)N2
Computed Properties
- Exact Mass: 179.08100
- Monoisotopic Mass: 179.08070993g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 264
- 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: -0.2
- Topological Polar Surface Area: 96.2?2
Experimental Properties
- Density: 1.8
- Boiling Point: 440.3°Cat760mmHg
- Flash Point: 220.1°C
- Refractive Index: 1.842
- PSA: 100.45000
- LogP: 0.37200
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