The 4-Pyrimidineacetaldehyde, a-(hydroxymethylene)-, with the CAS registry number 194242-26-7, is also known as Hydrazine, [(3-methoxyphenyl)methyl]-, hydrochloride (1:2). It belongs to the product category of Pyrimidine. This chemical's molecular formula is C8H14Cl2N2O and molecular weight is 225.12. What's more, its IUPAC name is (3-Methoxyphenyl)methylhydrazine dihydrochloride. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 4-Pyrimidineacetaldehyde, a-(hydroxymethylene)- are: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.47; (4)CD/LogD (pH 7.4): 0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 18.88; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 15.71 Å2; (13)Flash Point: 142.1 °C; (14)Enthalpy of Vaporization: 55.23 kJ/mol; (15)Boiling Point: 311.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000564 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.Cl.O(c1cc(ccc1)CNN)C
(2) InChI: InChI=1/C8H12N2O.2ClH/c1-11-8-4-2-3-7(5-8)6-10-9;;/h2-5,10H,6,9H2,1H3;2*1H
(3) InChIKey: FBNBTWSJOGMIRI-UHFFFAOYAU
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