Name: Chloroprocaine hydrochloride
SKU: 3858-89-7

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Basic Information

Molecular Structure:
CAS No.:	3858-89-7
Name:	Chloroprocaine hydrochloride

Formula:	C₁₃H₁₉ Cl N₂ O₂. Cl H
Molecular Weight:	307.22
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;
EINECS:	223-371-2
Melting Point:	176-178° (microstage)
Boiling Point:	402.6 °C at 760 mmHg
Flash Point:	197.3 °C
Solubility:	Slightly soluble White crystalline powder
Hazard Symbols:	UN NO.
PSA:	41.57000
LogP:	3.62590

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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.