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30345-28-9

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Basic Information
CAS No.: 30345-28-9
Name: 2-amino-3,9-dihydro-3-hydroxy-9-methyl-6H-purin-6-one
Molecular Structure:
Molecular Structure of 30345-28-9 (2-amino-3,9-dihydro-3-hydroxy-9-methyl-6H-purin-6-one)
Formula: C6H7 N5 O2
Molecular Weight: 181.18
Synonyms: Guanine,3-hydroxy-9-methyl- (8CI);2-Amino-3,9-dihydro-3-hydroxy-9-methyl-6H-purin-6-one; 3-Hydroxy-9-methylguanine
Density: 1.93g/cm3
Boiling Point: 580.3°Cat760mmHg
Flash Point: 304.7°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 99.69000
LogP: -1.12040
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  • 2-AMINO-3,9-DIHYDRO-3-HYDROXY-9-METHYL-6H-PURIN-6-ONE

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    2-AMINO-3,9-DIHYDRO-3-HYDROXY-9-METHYL-6H-PURIN-6-ONEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

Product Name: 3-Hydroxy-9-methylguanine (CAS NO.30345-28-9)


Molecular Formula: C6H7N5O2
Molecular Weight: 181.18g/mol
Mol File: 30345-28-9.mol
Boiling point: 580.3 °C at 760 mmHg
Flash Point: 304.7 °C
Density: 1.93 g/cm3
Surface Tension: 98.8 dyne/cm
Enthalpy of Vaporization: 91.31 kJ/mol
Vapour Pressure: 2.63E-14 mmHg at 25°C
XLogP3-AA: -1.4
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of 3-Hydroxy-9-methylguanine (CAS NO.30345-28-9):
  IUPAC Name: 2-Amino-3-hydroxy-9-methylpurin-6-one
  Canonical SMILES: CN1C=NC2=C1N(C(=NC2=O)N)O
  InChI: InChI=1S/C6H7N5O2/c1-10-2-8-3-4(12)9-6(7)11(13)5(3)10/h2,13H,1H3,(H2,7,9,12) 
  InChIKey: YMTGEOSREYBIRL-UHFFFAOYSA-N

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.

Specification

 3-Hydroxy-9-methylguanine , its CAS NO. is 30345-28-9, the synonyms are BRN 1117858 ; EINECS 250-138-2 ; 2-Amino-3,9-dihydro-3-hydroxy-9-methyl-6H-purin-6-one ; Guanine, 3-hydroxy-9-methyl- .