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6,7-Dimethyl-4-pteridinol

CAT: 0286-D44520-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0286-D44520-01Size:100 mg
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CAS Number
14684-54-9
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00023905
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
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

6,7-Dimethyl-1H-pteridin-4-one
CAS Number14684-54-9
PubChem CID135422471
IUPAC Name6,7-dimethyl-3H-pteridin-4-one
Molecular FormulaC8H8N4O
Molecular Weight176.18
XLogP0
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity253
SMILES
CC1=C(N=C2C(=N1)C(=O)NC=N2)C
InChI
InChI=1S/C8H8N4O/c1-4-5(2)12-7-6(11-4)8(13)10-3-9-7/h3H,1-2H3,(H,9,10,12,13)
InChIKey
YZZHLQUXFAOLAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Dimethyl-1H-pteridin-4-one
CAS: 14684-54-9
CID: 135422471
Formula: C8H8N4O
MW: 176.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight176.18
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass176.06981089
Monoisotopic Mass176.06981089
Topological Polar Surface Area67.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity253
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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