4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride supplier

Name
4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride
EINECS
CAS No. 437651-44-0
Density
Solubility
Melting Point 155-157°C
Formula C₁₈H₂₉NO₃^.HCl
Boiling Point 440.7 °C at 760 mmHg
Molecular Weight 343.89
Flash Point 220.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, 4-[3-(dibutylamino)propoxy]-, hydrochloride (9CI);4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride;4-(3-(dibutylamino)propoxy)benzoic acid hydrochloride;
PSA 49.77000
LogP 4.85790

4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride Specification

This chemical is an organic compound with the molecular formula C₁₈H₂₉NO₃.HCl and CAS registry number 437651-44-0. The systematic name is 4-[3-(dibutylamino)propoxy]benzoic acid hydrochloride (1:1). And it is used as Dronedarone intermediate. In addition, 4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride must be sealed in the container.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 5.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 41; (8)ACD/KOC (pH 7.4): 43; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Flash Point: 220.3 °C; (13)Enthalpy of Vaporization: 73.55 kJ/mol; (14)Boiling Point: 440.7 °C at 760 mmHg; (15)Vapour Pressure: 1.53E-08 mmHg at 25°C。

People can use the following data to convert to the molecule structure.
1. SMILES: Cl.O=C(O)c1ccc(OCCCN(CCCC)CCCC)cc1;
2. InChI: InChI=1/C18H29NO3.ClH/c1-3-5-12-19(13-6-4-2)14-7-15-22-17-10-8-16(9-11-17)18(20)21;/h8-11H,3-7,12-15H2,1-2H3,(H,20,21);1H.

Product Name

4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride

4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride Specification

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