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6108-05-0

Basic Information
CAS No.: 6108-05-0
Name: Acetamide,2-(diethylamino)-N-(2,6-dimethylphenyl)-, hydrochloride, hydrate (1:1:1)
Molecular Structure:
Molecular Structure of 6108-05-0 (Acetamide,2-(diethylamino)-N-(2,6-dimethylphenyl)-, hydrochloride, hydrate (1:1:1))
Formula: C14H25ClN2O2
Molecular Weight: 270.80
Synonyms: 2',6'-Acetoxylidide,2-(diethylamino)-, monohydrochloride, monohydrate (8CI);Acetamide,2-(diethylamino)-N-(2,6-dimethylphenyl)-, monohydrochloride, monohydrate (9CI);Lidocaine hydrochloride monohydrate;Lidocaine monohydrate hydrochloride;Lidocaine monohydrochloride monohydrate;Petercaine;
EINECS: 200-803-8
Density:
Melting Point: 68.5oC
Boiling Point: 350.8 °C at 760 mmHg
Flash Point: 166 °C
Solubility: soluble in water
Appearance: white solid
Hazard Symbols: HarmfulXn
Risk Codes: 22
Safety: 36
Transport Information: UN 2811 6.1/PG 3
PSA: 41.57000
LogP: 3.39440
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Specification

This chemical is called Lidocaine hydrochloride monohydrate, and its systematic name is 2',6'-Acetoxylidide, 2-(diethylamino)-, hydrochloride, hydrate. With the classification codes of Anesthetic [local]; Drug / Therapeutic Agent, its CAS registry number is 6108-05-0. Additionally, its product categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Sodium channel. 

Other characteristics of the Lidocaine hydrochloride monohydrate can be summarised as followings: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.13; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 5.99; (7)ACD/KOC (pH 5.5): 1.48; (8)ACD/KOC (pH 7.4): 75.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 20.31 Å2; (13)Flash Point: 166 °C; (14)Enthalpy of Vaporization: 59.55 kJ/mol; (15)Boiling Point: 350.8 °C at 760 mmHg; (16)Vapour Pressure: 4.28E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. Please wear suitable protective clothing if you use it.

You can still convert the following datas into molecular structure: 
1.SMILES: [Cl-].O=C(Nc1c(cccc1C)C)C[NH+](CC)CC.O
2.InChI: InChI=1/C14H22N2O.ClH.H2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4;;/h7-9H,5-6,10H2,1-4H3,(H,15,17);1H;1H2
3.InChIKey:YECIFGHRMFEPJK-UHFFFAOYAF

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 292mg/kg (292mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 179, Pg. 580, 1971.