Isobutyl p-aminobenzoate

C11H15NO2CAS 94-14-4193.25 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
64.5 °C
logP
2.08Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
94-14-4
SMILES
CC(C)COC(=O)c1ccc(N)cc1
InChIKey
PUYOAVGNCWPANW-UHFFFAOYSA-N
InChI
InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7,12H2,1-2H3

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzoic acid, 4-amino-, 2-methylpropyl ester
  • Cycloform
  • Benzoic acid, p-amino-, isobutyl ester
  • Isobutyl keloform
  • Isocaine
  • Isobutyl 4-aminobenzoate
  • Isobutylcaine
  • Benzamelid
  • Cicloforme
  • Cyclocaine
  • Cyclogesin
  • Isobutamben
  • Isobutyl p-aminobenzobenzoate
  • NSC 23517
  • Isobutambene
  • 2-Methylpropyl 4-aminobenzoate

Work with Isobutyl p-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

Isobutyl benzoate120-50-368 % similar Isobutylparaben4247-02-367 % similar Risocaine94-12-264 % similar Benzocaine94-09-763 % similar Butyl 4-aminobenzoate94-25-761 % similar Trimethylene glycol di-p-aminobenzoate57609-64-060 % similar Propan-2-yl 4-aminobenzoate18144-43-958 % similar 2-Ethylhexyl p-aminobenzoate26218-04-258 % 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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