2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid

C₂₂H₂₇NO₄CAS 54574-82-2369.46 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone Phenol Tertiary amine

Properties

Molecular formula: C₂₂H₂₇NO₄
Molar mass: 369.46 g/mol
Exact mass: 369.1940 Da
logP: 4.73Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 10

Hazards

H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 606-052-00-6), via PubChem.

Precautionary statements

P273, P501

Identifiers

CAS number

54574-82-2

SMILES

CCCCN(CCCC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

InChIKey

QPNFUBAIQZJEPO-UHFFFAOYSA-N

InChI

InChI=1S/C22H27NO4/c1-3-5-13-23(14-6-4-2)16-11-12-19(20(24)15-16)21(25)17-9-7-8-10-18(17)22(26)27/h7-12,15,24H,3-6,13-14H2,1-2H3,(H,26,27)

Weigh it out

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

Names and synonyms

7 names

Benzoic acid, 2-[4-(dibutylamino)-2-hydroxybenzoyl]-
2-(2-Hydroxy-4-dibutylaminobenzoyl)benzoic acid
4-(Dibutylamino)-2-hydroxy-2′-carboxybenzophenone
F 8 (Dye)
F 8
4-N,N-Dibutylamino-2-hydroxy-2′-carboxybenzophenone
4′-(Dibutylamino)-2′-hydroxybenzophenone-2-carboxylic acid

Work with 2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid

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

2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid5809-23-476 % similar Hexyl 2-(4-(diethylamino)-2-hydroxybenzoyl)benzoate302776-68-757 % similar 2-[2-[4-(Dipropylamino)phenyl]diazenyl]benzoic acid2641-01-246 % similar Octabenzone1843-05-644 % similar 2-Hydroxy-4-dodecyloxybenzophenone2985-59-344 % similar Monobutyl phthalate131-70-444 % similar 2-Pentyl-9,10-anthracenedione13936-21-543 % similar N,N-Dibutyl-3-aminophenol43141-69-142 % similar

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

Same formula

Corydaline518-69-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook