Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benznidazol |
EINECS | N/A |
CAS No. | 22994-85-0 | Density | 1.35 g/cm3 |
PSA | 92.74000 | LogP | 2.02180 |
Solubility | 400 mg/L at 37 °C in water | Melting Point |
189-192 °C |
Formula | C12H12N4O3 | Boiling Point | N/A |
Molecular Weight | 260.252 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Imidazole-1-acetamide,N-benzyl-2-nitro- (8CI);Benznidazol;Benznidazole;Benzonidazol;Benzonidazole;N-Benzyl-2-nitroimidazol-1-yl-acetamide;NSC 299972;Radanil;Ro07-1051;Ro 71051;Rochagan; |
Article Data | 2 |
benznidazole
N-benzyl-(2'-amino-4',5'-dihydro-4',5'-dihydroxy-1'-imidazoyl) acetamide
Conditions | Yield |
---|---|
With phosphate buffer; sodium chloride Mechanism; electrochemical reduction, pH=6.5-7.5; | |
With phosphate buffer; sodium chloride electrochemical reduction pH 6.5-7.5; |
The IUPAC name of Benznidazole is N-benzyl-2-(2-nitroimidazol-1-yl)acetamide. With the CAS registry number 22994-85-0, it is also named as 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide. The product's categories are Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Imidazoles. Besides, it should be stored in a closed, ventilated, cool and dry place. This chemical is an antiparasitic medication used in the treatment of Chagas disease. In addition, its molecular formula is C12H12N4O3 and molecular weight is 260.25.
The other characteristics of Benznidazole can be summarized as: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.89; (6)ACD/BCF (pH 7.4): 2.89; (7)ACD/KOC (pH 5.5): 74.48; (8)ACD/KOC (pH 7.4): 74.48; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 83.95 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 69.32 cm3; (15)Molar Volume: 191.6 cm3; (16)Polarizability: 27.48×10-24cm3; (17)Surface Tension: 59.7 dyne/cm; (18)Density: 1.35 g/cm3; (19)Melting Point: 189-192 °C; (20)Water Solubility: 400 mg/L at 37 °C.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=[N+]([O-])c1nccn1CC(=O)NCc2ccccc2
(2)InChI: InChI=1/C12H12N4O3/c17-11(14-8-10-4-2-1-3-5-10)9-15-7-6-13-12(15)16(18)19/h1-7H,8-9H2,(H,14,17)
(3)InChIKey: CULUWZNBISUWAS-UHFFFAOYAD