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| CAS No.: | 575-74-6 |
|---|---|
| Name: | Buclosamide |
| Molecular Structure: | |
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| Formula: | C11H14ClNO2 |
| Molecular Weight: | 227.691 |
| Synonyms: | Salicylamide,N-butyl-4-chloro- (6CI,7CI,8CI);4-Chloro-2-hydroxybenzoic acid-n-butylamide;Buclosamide;Demycin;Fungit;N-Butyl-4-chloro-2-hydroxybenzamide;N-Butyl-4-chlorosalicylamide; |
| EINECS: | 209-390-9 |
| Density: | 1.2 g/cm3 |
| Melting Point: | 90-92ºC |
| Boiling Point: | 366.6 °C at 760 mmHg |
| Flash Point: | 175.5 °C |
| Appearance: | white crystal powder |
| PSA: | 49.33000 |
| LogP: | 2.96640 |
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Specification
The Buclosamide, with the cas registry number 575-74-6 and the EINECS registy number of 209-390-9, has the systematic name and IUPAC name of N-butyl-4-chloro-2-hydroxybenzamide. It is a kind of white crystal power, and the molecular formula of the chemical is C11H14ClNO2.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.87; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 516; (6)ACD/BCF (pH 7.4): 226.31; (7)ACD/KOC (pH 5.5): 3028.88; (8)ACD/KOC (pH 7.4): 1328.42; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 60.55 cm3; (15)Molar Volume: 189.6 cm3; (16)Polarizability: 24×10-24cm3; (17)Surface Tension: 44.7 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 175.5 °C; (20)Enthalpy of Vaporization: 63.71 kJ/mol; (21)Boiling Point: 366.6 °C at 760 mmHg; (22)Vapour Pressure: 6.87E-06 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(c1c(O)cc(Cl)cc1)NCCCC
(2)InChI: InChI=1/C11H14ClNO2/c1-2-3-6-13-11(15)9-5-4-8(12)7-10(9)14/h4-5,7,14H,2-3,6H2,1H3,(H,13,15)
(3)InChIKey: ZGJHIFYEQJEUKA-UHFFFAOYAI