Risocaine

C10H13NO2CAS 94-12-2179.22 g/mol

Open in Covalent MOL file
OONH2
EsterPrimary amine

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
Melting point
75 °C
Boiling point
206–208 °C (at 2 Torr)
pKa
2.49 (conjugate acid)
Water solubility
842 mg/L (37 °C)
logP
1.84Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
94-12-2
SMILES
CCCOC(=O)c1ccc(N)cc1
InChIKey
NBFQYHKHPBMJJV-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6H,2,7,11H2,1H3

Weigh it out

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Names and synonyms

15 names · show all
  • Benzoic acid, 4-amino-, propyl ester
  • Benzoic acid, p-amino-, propyl ester
  • Propesin
  • p-Aminobenzoic acid, propyl ester
  • Keloform P
  • Propaesin
  • Propesine
  • Propyl p-aminobenzoate
  • 4-(Propoxycarbonyl)aniline
  • Propazyl
  • Propylcain
  • Raythesin
  • n-Propyl p-aminobenzoate
  • Propyl 4-aminobenzoate
  • NSC 23516

Work with Risocaine

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

Butyl 4-aminobenzoate94-25-782 % similar Trimethylene glycol di-p-aminobenzoate57609-64-072 % similar Benzocaine94-09-770 % similar Propyl benzoate2315-68-667 % similar Procaine59-46-166 % similar Propylparaben94-13-366 % similar (Dimethylamino)ethyl p-aminobenzoate10012-47-265 % similar Benzocaine hydrochloride23239-88-564 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Dl-homophenylalanine1012-05-1 Phenibut1078-21-3 DL-α-Methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-[(2-Hydroxyethyl)(methyl)amino]benzaldehyde1201-91-8 Propham122-42-9

Elsewhere

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