chempirical

cis-3-Hexenyl anthranilate

C13H17NO2CAS 65405-76-7219.28 g/mol

Open in Covalent MOL file
OOH2N
AlkeneEsterPrimary amine

Properties

Molecular formula
C13H17NO2
Molar mass
219.28 g/mol
Exact mass
219.1259 Da
Density
1.047–1.054 g/mL
logP
2.78Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS by 89 ECHA notifiers. Aggregated from 89 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
65405-76-7
SMILES
CC/C=CCCOC(=O)c1ccccc1N
InChIKey
VZWCCPAVZNSCEO-ARJAWSKDSA-N
InChI
InChI=1S/C13H17NO2/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9H,2,7,10,14H2,1H3/b4-3-

Weigh it out

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

Names and synonyms

4 names
  • 3-Hexenyl anthranilate, (3Z)-
  • 3-Hexen-1-ol, 1-(2-aminobenzoate), (3Z)-
  • 3-Hexen-1-ol, 2-aminobenzoate, (Z)-
  • 3-Hexen-1-ol, 2-aminobenzoate, (3Z)-

Work with cis-3-Hexenyl anthranilate

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

cis-3-Hexenyl salicylate65405-77-868 % similar cis-3-Hexenyl benzoate25152-85-664 % similar Butyl anthranilate7756-96-963 % similar Ethyl 2-aminobenzoate87-25-261 % similar Isobutyl anthranilate7779-77-353 % similar Benzyl anthranilate82185-41-952 % similar cis-3-Hexenyl phenylacetate42436-07-751 % similar Methyl anthranilate134-20-350 % similar

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

Same formula

1-Benzylpiperidine-4-carboxylic acid10315-07-8 Methyl N-benzyl-3-pyrrolidinecarboxylate17012-21-4 α-Phenyl-2-piperidineacetic acid19395-41-6 2-(3,4-Dimethoxyphenyl)-3-methylbutanenitrile20850-49-1 Cyclohexyl anthranilate7779-16-0

Elsewhere

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