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1,3,5-Trimethylpyrazole

CAT: 0607-C7171-1000Size: 1 gDry Ice: NoHazardous: No
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CAT#:0607-C7171-1000Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1072-91-9
Product Name Alternative
1,3,5-trimethyl-1H-pyrazole
Field of Research
Others
Purity
0.9968
Solubility
≥19.8 mg/mL in DMSO; ≥20.1 mg/mL in EtOH; ≥20.6 mg/mL in H2O
Smiles
CC1=NN(C)C(C)=C1
Molecular Formula
C6H10N2
Molecular Weight
110.16
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

1,3,5-Trimethylpyrazole

1,3,5-Trimethyl-1H-pyrazole is a member of pyrazoles.

CAS Number1072-91-9
PubChem CID14081
IUPAC Name1,3,5-trimethylpyrazole
Molecular FormulaC6H10N2
Molecular Weight110.16
XLogP1
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity82
SMILES
CC1=CC(=NN1C)C
InChI
InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3
InChIKey
HNOQAFMOBRWDKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,5-Trimethylpyrazole
CAS: 1072-91-9
CID: 14081
Formula: C6H10N2
MW: 110.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.16
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass110.084398327
Monoisotopic Mass110.084398327
Topological Polar Surface Area17.8 Ų
Heavy Atom Count8
Formal Charge0
Complexity82.6
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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