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Molecule record

procaine

C13H20N2O2

236.31 g/mol

2D structure for procaine

Molecular properties

Formula
C13H20N2O2
Molar mass
236.31 g·mol−1
Exact mass
236.1525 Da
5
1
4
55.60 Ų
1.9 (PubChem computed XLogP3-AA descriptor)
CAS
59-46-1
PubChem CID
4914

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Amine
Aromatic ring
Ether

Physical properties

PropertyValueConditionsSource
Logp1.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • 2-(Diethylamino)ethyl 4-aminobenzoate
  • 2-Diethylaminoethyl p-aminobenzoate
  • 4-Aminobenzoic acid diethylaminoethyl ester
  • 59-46-1
  • Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester
  • Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester
  • CHEBI:8430
  • Diethylaminoethyl p-aminobenzoate
Show all 21 synonyms
  • Duracaine
  • NSC-169497
  • Nissocaine
  • Novocaine
  • Procain
  • Procaina
  • Procaine, base
  • Procainum
  • Scurocaine
  • Spinocaine
  • Vitamin H3
  • beta-Diethylaminoethyl 4-aminobenzoate
  • p-Aminobenzoic acid 2-diethylaminoethyl ester

Structure identifiers

Canonical SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N
Isomeric SMILES
CCN(CC)CCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3
InChIKey
MFDFERRIHVXMIY-UHFFFAOYSA-N
PubChem CID
4914

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for procaine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for procaine; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record