chempirical

Cyclohexyl anthranilate

C13H17NO2CAS 7779-16-0219.28 g/mol

Open in Covalent MOL file
NH2OO
EsterPrimary amine

Properties

Molecular formula
C13H17NO2
Molar mass
219.28 g/mol
Exact mass
219.1259 Da
Boiling point
318 °C
Flash point
104.4 °C
Water solubility
< 1 g/L (22.8 °C)
logP
2.76Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Not classified as hazardous under GHS by 90 ECHA notifiers. Aggregated from 90 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
7779-16-0
SMILES
Nc1ccccc1C(=O)OC1CCCCC1
InChIKey
KFEZETDKFSMLMG-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO2/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7,14H2

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

Names and synonyms

2 names
  • Benzoic acid, 2-amino-, cyclohexyl ester
  • Anthranilic acid, cyclohexyl ester

Work with Cyclohexyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dicyclohexyl phthalate84-61-776 % similar Methyl anthranilate134-20-353 % similar Ethyl 2-aminobenzoate87-25-253 % similar Isobutyl anthranilate7779-77-352 % similar Benzyl anthranilate82185-41-951 % similar Butyl anthranilate7756-96-951 % similar 2-Amino-N-cyclohexylbenzamide56814-11-045 % similar Butylphthalide6066-49-544 % 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 cis-3-Hexenyl anthranilate65405-76-7

Elsewhere

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