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Basic Information
CAS No.: 59-46-1
Name: Procaine
Molecular Structure:
Molecular Structure of 59-46-1 (Procaine)
Formula: C13H20N2O2
Molecular Weight: 236.314
Synonyms: Benzoicacid, p-amino-, 2-(diethylamino)ethyl ester (8CI);2-(Diethylamino)ethylp-aminobenzoate;2-Diethylaminoethyl 4-aminobenzoate;4-Aminobenzoic acid2-(diethylamino)ethyl ester;4-Aminobenzoic acid diethylaminoethyl ester;Diethylaminoethyl p-aminobenzoate;Duracaine;Nissocaine;PfizerpenAS;Procain;Procaine base;SP 01;Spinocaine;Vitamin H3;p-Aminobenzoic acid 2-diethylaminoethyl ester;b-(Diethylamino)ethyl p-aminobenzoate;b-Diethylaminoethyl4-aminobenzoate;
EINECS: 200-426-9
Density: 1.077 g/cm3
Melting Point: 61oC
Boiling Point: 373.6 °C at 760 mmHg
Flash Point: 179.8 °C
Solubility: 9.45g/L(30 oC)
Transport Information: UN 3249
PSA: 55.56000
LogP: 2.34860
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Chemistry

Molecular Structure of Procaine (CAS NO.59-46-1):

IUPAC Name: 2-diethylaminoethyl 4-aminobenzoate 
Empirical Formula:
C13H20N2O2
Molecular Weight:
236.310 g/mol
EINECS: 200-426-9
Melting Point: 61°C
Density: 1.077 g/cm3
Flash Point: 179.8 °C
Appearance: White crystal
Index of Refraction: 1.542
Enthalpy of Vaporization: 62.09 kJ/mol
Boiling Point: 373.6 °C at 760 mmHg
Vapour Pressure: 8.84E-06 mmHg at 25°C
Solubility: Soluble in water, slightly soluble in ethanol, slightly soluble in virtually insoluble in ether
InChI
InChI=1/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
Smiles
c1(C(OCCN(CC)CC)=O)ccc(N)cc1
Classification Code: Anesthetics; Anesthetics, local; Central Nervous System Agents; Central Nervous System Depressants; Drug / Therapeutic Agent; Human Data; Peripheral Nervous System Agents; Sensory System Agents

Uses

 Procaine (CAS NO.59-46-1) is Local anesthesia. The low toxicity safety. Effect, rapidly Applicable to local anesthesia, used in the eyes, ears, nose, and so on, for infiltrating anesthesia branch operation, mentor anesthesia and close therapeutics, etc. The goods are used in the production of penicillin.

Production

 For nitro benzoic acid and ethyl amide ethanol in dimethyl benzene 2 of backflow esterification nitro preparations, reoccupy iron powder  reductiona  procaine, then use hydrochloride got P-aminobenzoic acid-2-diethylamino ethyl ester (59-46-1).

Toxicity Data With Reference

1.    

orl-man LDLo:147 mg/kg

    85DCAI    Poisoning; Toxicology, Symptoms, Treatments. 2 (1970),73.
2.    

ims-wmn TDLo:1600 µg/kg:CNS

    JNNPAU    Journal of Neurology, Neurosurgery and Psychiatry. 34 (1971),20.
3.    

ipr-rat LDLo:280 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 1 (1959),156.
4.    

scu-rat LD50:600 mg/kg

    AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 104 (1956),388.
5.    

ivn-rat LDLo:45 mg/kg

    PHREA7    Physiological Reviews. 12 (1932),190.
6.    

orl-mus LD50:350 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 16 (1966),1275.
7.    

ipr-mus LD50:124 mg/kg

    RPOBAR    Research Progress in Organic Biological and Medicinal Chemistry. 2 (1970),213.
8.    

scu-mus LD50:300 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 5 (1955),376.
9.    

ivn-mus LD50:45 mg/kg

    JAPMA8    Journal of the American Pharmaceutical Association, Scientific Edition. 45 (1956),382.

Safety Profile

Poison by ingestion, intraperitoneal, intravenous, and subcutaneous routes. Moderately toxic by parenteral route. Human systemic effects by intramuscular route: lack of muscular control, rigidity, and possibly catalepsy. See also ESTERS. When heated to decomposition it emits toxic fumes of NOx. Used as a local anesthetic.
RIDADR: 3249
HazardClass: 6.1(b)
PackingGroup: III

Specification

  Procaine , with CAS number of 59-46-1, can be called 2-(Diethylamino)ethyl 4-aminobenzoate ; 2-(Diethylamino)ethyl p-aminobenzoate ; 2-(Diethylamino)ethylp-aminobenzoate ; 2-Diethylaminoethyl4-aminobenzoate ; 2-Diethylaminoethylester kyseliny p-aminobenzoove ; 2-Diethylaminoethylesterkyselinyp-aminobenzoove ; 2-Diethylaminoethylp-aminobenzoate ; 4-Aminobenzoic acid diethylaminoethyl ester .