Butyl 4-aminobenzoate

C11H15NO2CAS 94-25-7193.25 g/mol

Open in Covalent MOL file
OONH2
EsterPrimary amine

Properties

Molecular formula
C11H15NO2
Molar mass
193.25 g/mol
Exact mass
193.1103 Da
Melting point
58 °C
Boiling point
173–174 °C (at 8 Torr)
pKa
2.47 (conjugate acid)
Water solubility
insoluble
logP
2.23Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
94-25-7
SMILES
CCCCOC(=O)c1ccc(N)cc1
InChIKey
IUWVALYLNVXWKX-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3

Weigh it out

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

Names and synonyms

22 names · show all
  • Benzoic acid, 4-amino-, butyl ester
  • Benzoic acid, p-amino-, butyl ester
  • Butamben
  • Butesin
  • Butoform
  • Butyl keloform
  • Planoform
  • Scuroform
  • Scuroforme
  • Butyl p-aminobenzoate
  • n-Butyl p-aminobenzoate
  • p-Aminobenzoic acid butyl ester
  • 4-(Butoxycarbonyl)aniline
  • Butylcaine
  • Butesine
  • p-Aminobenzoic acid n-butyl ester
  • n-Butyl 4-aminobenzoate
  • Butsein
  • NSC 128464
  • Butambene
  • 4-Aminobenzoic acid butyl ester
  • Hemoride

Work with Butyl 4-aminobenzoate

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

Risocaine94-12-282 % similar Trimethylene glycol di-p-aminobenzoate57609-64-078 % similar Butyl benzoate136-60-769 % similar Butylparaben94-26-868 % similar Benzocaine94-09-766 % similar 2-Ethylhexyl p-aminobenzoate26218-04-264 % similar Sodium butylparaben36457-20-263 % similar Procaine59-46-163 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 4-(dimethylamino)benzoate10287-53-3 β-Amino-4-ethylbenzenepropanoic acid117391-52-3 (3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol163439-82-5 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline1745-07-9 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-4 tert-Butyl 4-aminobenzoate18144-47-3 N,N-Diethyl-2-hydroxybenzamide19311-91-2 1-Methylethyl 3-amino-4-methylbenzoate21447-47-2

Elsewhere

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