The 3-Amino-6-(2-(5-Nitro-2-Furyl)vinyl)) Pyridazine Hydrochloride, with the CAS registry number 50832-74-1, has the systematic name of 6-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyridazin-3-amine hydrochloride. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H9ClN4O3.
The characteristics of 3-Amino-6-(2-(5-Nitro-2-Furyl)vinyl)) Pyridazine Hydrochloride are as followings: (1)ACD/LogP: 1.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.39; (5)ACD/BCF (pH 5.5): 5.08; (6)ACD/BCF (pH 7.4): 6.73; (7)ACD/KOC (pH 5.5): 102.69; (8)ACD/KOC (pH 7.4): 136.06; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 87.98 Å2; (13)Flash Point: 263.3 °C; (14)Enthalpy of Vaporization: 78.28 kJ/mol; (15)Boiling Point: 511.7 °C at 760 mmHg; (16)Vapour Pressure: 1.38E-10 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])c2oc(/C=C/c1nnc(N)cc1)cc2.Cl
(2)InChI: InChI=1/C10H8N4O3.ClH/c11-9-5-2-7(12-13-9)1-3-8-4-6-10(17-8)14(15)16;/h1-6H,(H2,11,13);1H/b3-1+;
(3)InChIKey: STWUHYFUAQKRBO-KSMVGCCEBM
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