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| CAS No.: | 2004-03-7 |
|---|---|
| Name: | 6-Methylpurine |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6N4 |
| Molecular Weight: | 134.14 |
| Synonyms: | 1H-Purine,6-methyl- (9CI);Purine, 6-methyl- (6CI,8CI); |
| EINECS: | 217-903-2 |
| Density: | 1.49 g/cm3 |
| Melting Point: | 237-238 °C(lit.) |
| Boiling Point: | 234.6 °C at 760 mmHg |
| Flash Point: | 87.2 °C |
| Hazard Symbols: |
 ,  Xn
|
| Risk Codes: | 22-41-43-23/24/25 |
| Safety: | 26-36/37/39-45 |
| PSA: | 54.46000 |
| LogP: | 0.66130 |
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Chemistry
Molecule structure of 6-Methylpurine (CAS NO.2004-03-7):
IUPAC Name: 6-Methyl-7H-purine
Molecular Weight: 134.13864 [g/mol]
Molecular Formula: C6H6N4
Density: 1.49 g/cm3
Melting Point: 237-238 °C(lit.)
Boiling Point: 234.6 °C at 760 mmHg
Flash Point: 87.2 °C
Index of Refraction: 1.763
Molar Refractivity: 37.12 cm3
Molar Volume: 89.8 cm3
Polarizability: 14.71×10-24 cm3
Surface Tension: 57.8 dyne/cm
Enthalpy of Vaporization: 45.22 kJ/mol
Vapour Pressure: 0.0803 mmHg at 25 °C
Storage Temp.: store at RT.
Color: off-white
XLogP3-AA: 0.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Tautomer Count: 4
Exact Mass: 134.059246
MonoIsotopic Mass: 134.059246
Topological Polar Surface Area: 54.5
Heavy Atom Count: 10
Complexity: 127
Canonical SMILES: CC1=C2C(=NC=N1)N=CN2
InChI: InChI=1S/C6H6N4/c1-4-5-6(9-2-7-4)10-3-8-5/h2-3H,1H3,(H,7,8,9,10)
InChIKey: SYMHUEFSSMBHJA-UHFFFAOYSA-N
EINECS: 217-903-2
Product Categories 6-Methylpurine (CAS NO.2004-03-7): PYRIMIDINE; Nucleotides and Nucleosides; Bases & Related Reagents; Nucleotides; Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides
Safety Profile
Hazard Codes: 
Xn, 
T
Risk Statements: 22-41-43-23/24/25
R22:Harmful if swallowed.
R41:Risk of serious damage to the eyes.
R43:May cause sensitization by skin contact.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 2811
WGK Germany: 3
RTECS: UO8700000
Specification
6-Methylpurine (CAS NO.2004-03-7) is also named as 6-Methyl purine ; 6-Methyl-1H-purine ; AI3-52214 ; NSC 407198 ; 1H-Purine, 6-methyl- ; 1H-Purine, 6-methyl- (9CI) ; Purine, 6-methyl- . 6-Methylpurine (CAS NO.2004-03-7) is light yellow powder.