Dodecyl 3-amino-4-chlorobenzoate

C₁₉H₃₀ClNO₂CAS 6195-20-6339.90 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₁₉H₃₀ClNO₂
Molar mass: 339.90 g/mol
Exact mass: 339.1965 Da
Melting point: 60–62 °C
logP: 6.00Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 12

Identifiers

CAS number

6195-20-6

SMILES

CCCCCCCCCCCCOC(=O)c1ccc(Cl)c(N)c1

InChIKey

PFDZHCMFQQMXSB-UHFFFAOYSA-N

InChI

InChI=1S/C19H30ClNO2/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)16-12-13-17(20)18(21)15-16/h12-13,15H,2-11,14,21H2,1H3

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 3-amino-4-chloro-, dodecyl ester
2-Chloro-5-(dodecyloxycarbonyl)aniline
3-Amino-4-chlorobenzoic acid dodecyl ester

Work with Dodecyl 3-amino-4-chlorobenzoate

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

Hexadecyl 3-amino-4-chlorobenzoate143269-74-3100 % similar Dodecyl 4-chloro-3-nitrobenzoate124809-77-465 % similar Hexyl benzoate6789-88-456 % similar Octyl benzoate94-50-856 % similar Hexyl 4-hydroxybenzoate1083-27-855 % similar Heptylparaben1085-12-755 % similar Octyl P-hydroxybenzoate1219-38-155 % similar Dodecyl 4-hydroxybenzoate2664-60-055 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook