Guaiazulene

C₁₅H₁₈CAS 489-84-9198.31 g/mol

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Properties

Molecular formula: C₁₅H₁₈
Molar mass: 198.31 g/mol
Exact mass: 198.1409 Da
Density: 0.974 g/mL (at 22 °C)
Melting point: 31.5 °C
Boiling point: 153 °C
logP: 4.53Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

489-84-9

SMILES

Cc1ccc(C(C)C)cc2c(C)ccc1-2

InChIKey

FWKQNCXZGNBPFD-UHFFFAOYSA-N

InChI

InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

24 names · show all

Azulene, 1,4-dimethyl-7-(1-methylethyl)-
Azulene, 7-isopropyl-1,4-dimethyl-
1,4-Dimethyl-7-(1-methylethyl)azulene
Azulon
1,4-Dimethyl-7-isopropylazulene
Silazulon
S-Guaiazulene
3,8-Dimethyl-5-(2-propyl)azulene
7-Isopropyl-1,4-dimethylazulene
Eucazulen
Kessazulen
Purazulen
Azulen-beris
Uroazulen
Azunol
Cuteazul
Vetivazulen
AZ 8
Vaumigan
AZ 8 Beris
NSC 4714
Guaiazulene blue
1,4-Dimethyl-7-propan-2-ylazulene
1,4-Dimethyl-7-(propan-2-yl)azulene

Work with Guaiazulene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Carvacrol499-75-257 % similar 1-[2-Methyl-5-(1-methylethyl)phenyl]ethanone1202-08-049 % similar 2,6-Diisopropylnaphthalene24157-81-148 % similar 1,4-Diisopropylbenzene100-18-546 % similar Sodium 5-isopropyl-3,8-dimethyl-1-azulenesulfonate6223-35-445 % similar Retene483-65-843 % similar P-Cymene99-87-643 % similar 2-Isopropylnaphthalene2027-17-042 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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