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CAS No.: | 437651-44-0 |
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Name: | 4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride |
Molecular Structure: | |
Formula: | C18H29NO3.HCl |
Molecular Weight: | 343.89 |
Synonyms: | Benzoicacid, 4-[3-(dibutylamino)propoxy]-, hydrochloride (9CI);4-[3-(Dibutylamino)propoxy]benzoic acid hydrochloride;4-(3-(dibutylamino)propoxy)benzoic acid hydrochloride; |
Melting Point: | 155-157°C |
Boiling Point: | 440.7 °C at 760 mmHg |
Flash Point: | 220.3 °C |
PSA: | 49.77000 |
LogP: | 4.85790 |
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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.