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Larocaine hydrochloride

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Name

Larocaine hydrochloride

EINECS
CAS No. 553-63-9 Density 1.035 g/cm3
Solubility Melting Point 195-196℃
Formula C16H26N2O2.ClH Boiling Point 403.5 °C at 760 mmHg
Molecular Weight 314.85 Flash Point 197.8 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 553-63-9 (1-Propanol,3-(diethylamino)-2,2-dimethyl-, 1-(4-aminobenzoate), hydrochloride (1:1)) Hazard Symbols
Synonyms

1-Propanol,3-(diethylamino)-2,2-dimethyl-, 4-aminobenzoate (ester), monohydrochloride(9CI);1-Propanol, 3-(diethylamino)-2,2-dimethyl-, p-aminobenzoate (ester),monohydrochloride (8CI);1-Aminobenzoyl-2,2-dimethyl-3-diethylaminopropanolhydrochloride;3-Diethylamino-2,2-dimethylpropyl p-aminobenzoate hydrochloride;Diethylaminoneopentyl alcohol hydrochloride p-aminobenzoate;Dimethocainehydrochloride;Larocaine hydrochloride;

 

Larocaine hydrochloride Specification

The 1-Propanol,3-(diethylamino)-2,2-dimethyl-, 1-(4-aminobenzoate), hydrochloride (1:1), with the CAS registry number 553-63-9, is also known as Larocaine hydrochloride. This chemical's molecular formula is C16H26N2O2.ClH and molecular weight is 314.85. What's more, its systematic name is 3-(Diethylamino)-2,2-dimethylpropyl 4-aminobenzoate hydrochloride (1:1). Its classification code is Drug / Therapeutic Agent.

Physical properties of 1-Propanol,3-(diethylamino)-2,2-dimethyl-, 1-(4-aminobenzoate), hydrochloride (1:1) are: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.65; (8)ACD/KOC (pH 7.4): 5.7; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 32.78 Å2; (13)Flash Point: 197.8 °C; (14)Enthalpy of Vaporization: 65.48 kJ/mol; (15)Boiling Point: 403.5 °C at 760 mmHg; (16)Vapour Pressure: 1.01E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(C)(C)CN(CC)CC)c1ccc(N)cc1.Cl
(2)InChI: InChI=1S/C16H26N2O2.ClH/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13;/h7-10H,5-6,11-12,17H2,1-4H3;1H
(3)InChIKey: WWTWKTDXBNHESE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 50mg/kg (50mg/kg) BEHAVIORAL: GENERAL ANESTHETIC "Vergleichend-pharmakologische Untersuchungen ueber die haemolytische Wirkung und die Toxizitat der Lokalanaesthetika, Dissertation," Walther, M., Pharmakologischen Instit Martin Luther-Universitat Halle-Wittenburg, Ger. Dem. Rep., 1936Vol. -, Pg. -, 1936.
mouse LDLo subcutaneous 300mg/kg (300mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 508, 1989.

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