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Chamazulene

CAT: 0013-GTR19202991-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202991-04Size:25 mg
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Description
Chamazulene
CAS Number
529-05-5
Product Name Alternative
BA2784, BA-2784, BA 2784, Antioxidant, Chamazulene, Dimethulene
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
98.96% (May vary between batches)
Solubility
DMSO:8 mg/mL (43.41 mM)
Smiles
C=1C=C (C2=CC=C (C2=CC1CC) C) C
Molecular Formula
C14H16
Molecular Weight
184.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chamazulene

Chamazulene is a sesquiterpenoid.

CAS Number529-05-5
PubChem CID10719
IUPAC Name7-ethyl-1,4-dimethylazulene
Molecular FormulaC14H16
Molecular Weight184.28
XLogP4.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity184
SMILES
CCC1=CC2=C(C=CC2=C(C=C1)C)C
InChI
InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3
InChIKey
GXGJIOMUZAGVEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chamazulene
CAS: 529-05-5
CID: 10719
Formula: C14H16
MW: 184.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.28
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass184.125200510
Monoisotopic Mass184.125200510
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity184
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

Alternative Products

CatalogName
M32126-01Chamazulene

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