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49787-00-0

Basic Information
CAS No.: 49787-00-0
Name: 4,N-DIHYDROXY-BENZAMIDINE
Article Data: 24
Molecular Structure:
Molecular Structure of 49787-00-0 (4,N-DIHYDROXY-BENZAMIDINE)
Formula: C7H8N2O2
Molecular Weight: 152.153
Synonyms: Benzamidoxime,p-hydroxy- (7CI);4-Hydroxy-N-hydroxybenzamidine;4-Hydroxybenzamidoxime;4,N-Dihydroxy-benzamidine;
Density: 1.35 g/cm3
Boiling Point: 390.309 °C at 760 mmHg
Flash Point: 189.852 °C
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  • 4-[amino-(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one

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Specification

The CAS register number of Benzenecarboximidamide,N,4-dihydroxy- is 49787-00-0. It also can be called as 4-Hydroxybenzamidoxime and the IUPAC name about this chemical is 4-[amino-(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one. The molecular formula about this chemical is C7H8N2O2 and the molecular weight is 152.15. It belongs to the following product category which includes pharmacetical.

Physical properties about Benzenecarboximidamide,N,4-dihydroxy- are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 2; (5)ACD/KOC (pH 5.5): 33; (6)ACD/KOC (pH 7.4): 63; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 78.84 Å2; (11)Index of Refraction: 1.607; (12)Molar Refractivity: 38.925 cm3; (13)Molar Volume: 112.664 cm3; (14)Polarizability: 15.431x10-24cm3; (15)Surface Tension: 55.908 dyne/cm; (16)Density: 1.35 g/cm3; (17)Flash Point: 189.852 °C; (18)Enthalpy of Vaporization: 67.476 kJ/mol; (19)Boiling Point: 390.309 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1)C(\N)=N\O
(2)InChI: InChI=1/C7H8N2O2/c8-7(9-11)5-1-3-6(10)4-2-5/h1-4,10-11H,(H2,8,9)
(3)InChIKey: YJFXWNSNMVKGNA-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H8N2O2/c8-7(9-11)5-1-3-6(10)4-2-5/h1-4,10-11H,(H2,8,9)
(5)Std. InChIKey: YJFXWNSNMVKGNA-UHFFFAOYSA-N