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| CAS No.: | 100524-07-0 |
|---|---|
| Name: | 3-AMINO-BENZAMIDE OXIME |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H9N3O |
| Molecular Weight: | 151.168 |
| Synonyms: | Benzamidoxime,m-amino- (6CI);3-Amino-N-hydroxybenzenecarboximidamide;3-Amino-benzamide oxime; |
| Density: | 1.348 g/cm3 |
| Melting Point: | 101-105℃ |
| Boiling Point: | 413.798 °C at 760 mmHg |
| Flash Point: | 204.058 °C |
| Hazard Symbols: | T |
| Risk Codes: | 25-36/37/38 |
| Safety: | 26-36/37/39-45 |
| PSA: | 84.63000 |
| LogP: | 1.64480 |
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- Total:38 Page 1 of 1 1
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Specification
The CAS register number of Benzenecarboximidamide,3-amino-N-hydroxy- is 100524-07-0. It also can be called as 3-Amino-benzamide oxime and the IUPAC name about this chemical is 3-amino-N'-hydroxybenzenecarboximidamide. The molecular formula about this chemical is C7H9N3O and the molecular weight is 151.17.
Physical properties about Benzenecarboximidamide,3-amino-N-hydroxy- are: (1)ACD/LogP: -0.22; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 22; (6)ACD/KOC (pH 7.4): 29; (7)#H bond acceptors: 4; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 84.63 Å2; (11)Index of Refraction: 1.632; (12)Molar Refractivity: 39.988 cm3; (13)Molar Volume: 112.161 cm3; (14)Polarizability: 15.853x10-24cm3; (15)Surface Tension: 58.029 dyne/cm; (16)Density: 1.348 g/cm3; (17)Flash Point: 204.058 °C; (18)Enthalpy of Vaporization: 70.287 kJ/mol; (19)Boiling Point: 413.798 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(ccc1)C(\N)=N\O
(2)InChI: InChI=1/C7H9N3O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,8H2,(H2,9,10)
(3)InChIKey: OPGWBTKZYLRPRW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C7H9N3O/c8-6-3-1-2-5(4-6)7(9)10-11/h1-4,11H,8H2,(H2,9,10)
(5)Std. InChIKey: OPGWBTKZYLRPRW-UHFFFAOYSA-N