CAS No.3785-21-5,Butanilicaine hydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3785-21-5
Name:	Butanilicaine hydrochloride

Formula:	C₁₃H₂₀Cl₂N₂O
Molecular Weight:	254.76
Synonyms:	o-Acetotoluidide,2-(butylamino)-6'-chloro- (6CI,7CI,8CI);1-(Butylaminoacetylamino)-2-chloro-6-methylbenzene;2-(Butylamino)-6'-chloro-o-acetoluidide;2-Butylamino-6'-chloro-o-acetotoluidide;Butanilicaine;w-n-Butylaminoacetic acid2-methyl-6-chloroanilide;
EINECS:	218-211-3
Density:	1.129 g/cm3
Melting Point:	45-46oC
Boiling Point:	389.3 °C at 760 mmHg
Flash Point:	189.2 °C
Appearance:	White crystalline powder
PSA:	41.13000
LogP:	4.24250

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Specification

The Butanilicaine hydrochloride is an organic compound with the formula C₁₃H₂₀Cl₂N₂O. The systematic name of this chemical is N-{2-[(2-chloro-6-methylphenyl)amino]-2-oxoethyl}butan-1-aminium chloride. With the CAS registry number 3785-21-5, it is also named as 2-(Butylamino)-N-(2-chloro-6-methylphenyl)acetamide hydrochloride.

Physical properties about Butanilicaine hydrochloride are: (1)ACD/LogP: 2.12; (2)ACD/LogD (pH 5.5): 0.17; (3)ACD/LogD (pH 7.4): 1.78; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 10.97; (6)ACD/KOC (pH 5.5): 3.8; (7)ACD/KOC (pH 7.4): 154.57; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 20.31 Å²; (12)Flash Point: 189.2 °C; (13)Enthalpy of Vaporization: 63.86 kJ/mol; (14)Boiling Point: 389.3 °C at 760 mmHg; (15)Vapour Pressure: 2.88E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].Clc1cccc(c1NC(=O)C[NH2+]CCCC)C
(2)InChI: InChI=1/C13H19ClN2O.ClH/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);1H
(3)InChIKey: WROUIBGUWODUPA-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C13H19ClN2O.ClH/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);1H
(5)Std. InChIKey: WROUIBGUWODUPA-UHFFFAOYSA-N