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Benzoic acid,4-amino-2-chloro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (3858-89-7)

Identification
Name:Benzoic acid,4-amino-2-chloro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Synonyms:2-diethylaminoethyl 4-amino-2-chlorobenzoate hydrochloride;chloroprocaine hydrochloride;CHLOROPROCAINE HYDROCHLORIDE (200 MG);2-chloroprocainehydrochloride;4-amino-2-chlorobenzoicacid2-(diethylamino) ethylesterhydrochloride;4-Amino-2-Chlorobenzoicacid2-diethylaminoe-thylesterhydrochloride;benzoicacid,4-amino-2-chloro-,2-(diethylamino)ethylester,hydrochloride;nesacainehydrochloride;nesecaine-ce;Choroprocaine hydrochloride;
CAS:3858-89-7
EINECS: 223-371-2
Molecular Formula: C13H19 Cl N2 O2 . Cl H
Molecular Weight: 270.75516
InChI: InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3
Molecular Structure: (C13H19ClN2O2.ClH) 2-diethylaminoethyl 4-amino-2-chlorobenzoate hydrochloride;chloroprocaine hydrochloride;CHLOROPROCAI...
Properties
Melting Point: 176 C
Stability:Stable. Incompatible with strong oxidizing agents.
Water Solubility:Slightly soluble
Solubility:Slightly soluble Appearance:White crystalline powder
Specification:

The Chloroprocaine hydrochloride with cas registry number of 3858-89-7, is also called 2-diethylaminoethyl 4-amino-2-chlorobenzoate hydrochloride ; 2-chloroprocainehydrochloride .

Physical properties of Chloroprocaine hydrochloride :(1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.73; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 16.24; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 29.54 Å2; (13)Enthalpy of Vaporization: 65.38 kJ/mol; (14)Vapour Pressure: 1.08E-06 mmHg at 25°C.

Chemical properties of Chloroprocaine hydrochloride :crystalline solid.

You can still convert the following datas into molecular structure:(1)SMILES:[Cl-].O=C(OCC[NH+](CC)CC)c1ccc(cc1Cl)N; (2)InChI:InChI=1/C13H19ClN2O2.ClH/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H; (3)InChIKey:SZKQYDBPUCZLRX-UHFFFAOYAP; (4)Std. InChI:InChI=1S/C13H19ClN2O2.ClH/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H; (5)Std. InChIKey:SZKQYDBPUCZLRX-UHFFFAOYSA-N.

Usage:A local anesthetic given by injection during surgical procedures and labor and delivery.
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