chempirical

Padimate O

C17H27NO2CAS 21245-02-3277.41 g/mol

Open in Covalent MOL file
OON
EsterTertiary amine

Properties

Molecular formula
C17H27NO2
Molar mass
277.41 g/mol
Exact mass
277.2042 Da
Melting point
242.5–243.5 °C
logP
4.13Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
8

Identifiers

CAS number
21245-02-3
SMILES
CCCCC(CC)COC(=O)c1ccc(N(C)C)cc1
InChIKey
WYWZRNAHINYAEF-UHFFFAOYSA-N
InChI
InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3

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Names and synonyms

23 names · show all
  • Benzoic acid, 4-(dimethylamino)-, 2-ethylhexyl ester
  • Benzoic acid, p-(dimethylamino)-, 2-ethylhexyl ester
  • Escalol 507
  • 2-Ethylhexyl 4-(N,N-dimethylamino)benzoate
  • 2-Ethylhexyl p-(dimethylamino)benzoate
  • 2-Ethylhexyl N,N-dimethyl-p-aminobenzoate
  • 2-Ethylhexyl 4-(dimethylamino)benzoate
  • 2-Ethylhexyl p-(N,N-dimethylamino)benzoate
  • Arlatone UVB
  • Eusolex 6007
  • Quantacure EHA
  • Octyl dimethyl PABA
  • 4-(Dimethylamino)benzoic acid 2-ethylhexyl ester
  • EHDAB
  • Esacure EHA
  • Speedcure EHA
  • Omnirad EHA
  • Genocure EHA
  • ODPABA
  • Chivacure OPD
  • Chemcure EHA
  • Ethylhexyl dimethyl paba
  • Gencure EHA

Work with Padimate O

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

Bis(2-ethylhexyl) terephthalate6422-86-280 % similar 2-Ethylhexyl P-aminobenzoate26218-04-270 % similar 2-Ethylhexyl 4-hydroxybenzoate5153-25-370 % similar Trioctyl trimellitate3319-31-165 % similar Ethylhexyl triazone88122-99-063 % similar Bis(2-ethylhexyl) phthalate117-81-761 % similar Ethyl 4-(dimethylamino)benzoate10287-53-357 % similar Poly(ethylene glycol) bis(P-dimethylaminobenzoate)71512-90-856 % similar

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

Same formula

Venlafaxine93413-69-5

Elsewhere

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