Cas no 42484-34-4 (1-Methylguanin)
1-Methylguanin structure
Product Name:1-Methylguanin
CAS No:42484-34-4
MF:C7H9N5O
MW:179.179260015488
CID:2015247
PubChem ID:123508
Update Time:2025-04-21
1-Methylguanin Chemical and Physical Properties
Names and Identifiers
-
- 1-Methylguanin
- 1-Methylguanine
- 2-amino-1,7-dihydro-1-methyl-6H-purin-6-one
- 2-amino-1-methyl-1,7(9)-dihydro-purin-6-one
- 2-Amino-1-methyl-1,7-dihydro-purin-6-on
- 7-Me-1-Methylguanine
- 9-Me-1-Methylguanine
- 2-amino-1,9-dimethylpurin-6-one
- 42484-34-4
- 2-amino-1,9-dimethyl-6,9-dihydro-1H-purin-6-one
- 6H-Purin-6-one, 2-amino-1,9-dihydro-1,9-dimethyl-
- DTXSID70195270
- 1,9-Dimethylguanine
- Guanine, 1,9-dimethyl-
- CHEMBL449326
- SCHEMBL15313370
- 2-amino-1,9-dimethyl-1H-purin-6(9H)-one
- DTXCID80117761
-
- Inchi： 1S/C7H9N5O/c1-11-3-9-4-5(11)10-7(8)12(2)6(4)13/h3H,1-2H3,(H2,8,10)
- InChI Key： MXLVASHNANBJDZ-UHFFFAOYSA-N
- SMILES： O=C1C2=C(N=C(N)N1C)N(C)C=N2
Computed Properties
- Exact Mass: 179.081
- Monoisotopic Mass: 179.081
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 276
- 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: -0.9
- Topological Polar Surface Area: 76.5?2
Experimental Properties
- Density: 1.6
- Boiling Point: 468.5°C at 760 mmHg
- Flash Point: 237.1°C
- Refractive Index: 1.764
1-Methylguanin Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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