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CAS No.: | 16348-49-5 |
---|---|
Name: | 2-AMINO-N-HYDROXY-BENZAMIDINE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C7H9N3O |
Molecular Weight: | 151.168 |
Synonyms: | Benzenecarboximidamide, 2-amino-N'-hydroxy-; |
Density: | 1.34 g/cm3 |
Melting Point: | 71-75℃ |
Boiling Point: | 385.5 °C at 760 mmHg |
Flash Point: | 186.9 °C |
PSA: | 84.63000 |
LogP: | 1.64480 |
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The 2-Aminobenzamide oxime, with the CAS registry number 16348-49-5, is also known as Benzenecarboximidamide, 2-amino-N'-hydroxy-. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C7H9N3O and molecular weight is 151.17. Its IUPAC name is called 2-amino-N'-hydroxybenzenecarboximidamide.
Physical properties of 2-Aminobenzamide oxime: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.52; (6)ACD/BCF (pH 7.4): 2.87; (7)ACD/KOC (pH 5.5): 64.88; (8)ACD/KOC (pH 7.4): 74.01; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.631; (13)Molar Refractivity: 39.98 cm3; (14)Molar Volume: 112.1 cm3; (15)Surface Tension: 58 dyne/cm; (16)Density: 1.34 g/cm3; (17)Flash Point: 186.9 °C; (18)Enthalpy of Vaporization: 66.9 kJ/mol; (19)Boiling Point: 385.5 °C at 760 mmHg; (20)Vapour Pressure: 1.24E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=NO)N)N
(2)Isomeric SMILES: C1=CC=C(C(=C1)/C(=N/O)/N)N
(3)InChI: InChI=1S/C7H9N3O/c8-6-4-2-1-3-5(6)7(9)10-11/h1-4,11H,8H2,(H2,9,10)
(4)InChIKey: CFZHYRNQLHEHJS-UHFFFAOYSA-N