chempirical

Perillartine

C10H15NOCAS 30950-27-7165.24 g/mol

Open in Covalent MOL file
NOH
AlkeneOxime

Properties

Molecular formula
C10H15NO
Molar mass
165.24 g/mol
Exact mass
165.1154 Da
Melting point
100–102 °C
logP
2.75Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
30950-27-7
SMILES
C=C(C)C1CC=C(/C=N/O)CC1
InChIKey
XCOJIVIDDFTHGB-YRNVUSSQNA-N
InChI
InChI=1/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+

Weigh it out

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

Names and synonyms

5 names
  • 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, oxime, [C(E)]-
  • 1-Cyclohexene-1-carboxaldehyde, 4-(1-methylethenyl)-, oxime, (E)-
  • 1-Cyclohexene-1-carboxaldehyde, 4-isopropenyl-, oxime, (E)-
  • DL-Perillartine
  • (±)-Perillartine

Work with Perillartine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Perillaldehyde18031-40-861 % similar Perillaldehyde2111-75-361 % similar 1-Methyl-4-prop-1-en-2-ylcyclohexene138-86-354 % similar (+)-Limonene5989-27-554 % similar (S)-Limonene5989-54-854 % similar 1-Methyl-4-prop-1-en-2-ylcyclohexene7705-14-854 % similar (-)-Perillyl alcohol18457-55-153 % similar Perillyl alcohol536-59-453 % similar

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

Same formula

N-Benzyl-N-methylethanolamine101-98-4 3-[1-(Dimethylamino)ethyl]phenol105601-04-5 2-Amino-4-tert-butylphenol1199-46-8 (S)-3-[1-(Dimethylamino)ethyl]phenol139306-10-8 N-Ethyl-4-methoxybenzylamine22993-76-6 N-Methyl-N-(2-hydroxyethyl)-p-toluidine2842-44-6 Ephedrine299-42-3 (-)-Pseudoephedrine321-97-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia