CAS No.6195-20-6,Dodecyl 3-amino-4-chlorobenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6195-20-6
Name:	Dodecyl 3-amino-4-chlorobenzoate
Article Data:	4

Formula:	C₁₉H₃₀ClNO₂
Molecular Weight:	339.906
Synonyms:	2-Chloro-5-(dodecyloxycarbonyl)aniline;
Density:	1.052 g/cm³
Melting Point:	56-59 °C
Boiling Point:	444.997 °C at 760 mmHg
Flash Point:	222.927 °C

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Specification

This chemical is called Benzoic acid, 3-amino-4-chloro-, dodecyl ester, and its systematic name is dodecyl 3-amino-4-chlorobenzoate. With the molecular formula of C₁₉H₃₀ClNO₂, its molecular weight is 339.90. The CAS registry number of this chemical is 6195-20-6. Additionally, its product category is Organic Acids.

Other characteristics of the Benzoic acid, 3-amino-4-chloro-, dodecyl ester can be summarised as followings: (1)ACD/LogP: 7.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8; (4)ACD/LogD (pH 7.4): 8; (5)ACD/BCF (pH 5.5): 499916; (6)ACD/BCF (pH 7.4): 499963; (7)ACD/KOC (pH 5.5): 417667; (8)ACD/KOC (pH 7.4): 417706; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 52.32 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 98.119 cm³; (15)Molar Volume: 323.131 cm³; (16)Polarizability: 38.897×10^-24cm³; (17)Surface Tension: 39.769 dyne/cm; (18)Density: 1.052 g/cm³; (19)Flash Point: 222.927 °C; (20)Enthalpy of Vaporization: 70.291 kJ/mol; (21)Boiling Point: 444.997 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc1ccc(C(=O)OCCCCCCCCCCCC)cc1N
2.InChI: InChI=1/C19H30ClNO2/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)16-12-13-17(20)18(21)15-16/h12-13,15H,2-11,14,21H2,1H3
3.InChIKey: PFDZHCMFQQMXSB-UHFFFAOYAR