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6-Methyoxypurine

CAT: 0286-M09510-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0286-M09510-01Size:100 mg
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CAS Number
1074-89-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00005574
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

6-Methoxy-9H-purine

structure in first source

CAS Number1074-89-1
PubChem CID70632
IUPAC Name6-methoxy-7H-purine
Molecular FormulaC6H6N4O
Molecular Weight150.14
XLogP0.6
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity143
SMILES
COC1=NC=NC2=C1NC=N2
InChI
InChI=1S/C6H6N4O/c1-11-6-4-5(8-2-7-4)9-3-10-6/h2-3H,1H3,(H,7,8,9,10)
InChIKey
GOILPRCCOREWQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Methoxy-9H-purine
CAS: 1074-89-1
CID: 70632
Formula: C6H6N4O
MW: 150.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.14
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass150.05416083
Monoisotopic Mass150.05416083
Topological Polar Surface Area63.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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