Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Propanenitrile,2-[(phenylmethoxy)imino]- |
EINECS | N/A |
CAS No. | 10388-98-4 | Density | 1.01 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H10N2O | Boiling Point | 269.2 °C at 760 mmHg |
Molecular Weight | 174.1992 | Flash Point | 116.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyruvonitrile,O-benzyloxime (7CI,8CI);NSC 122076; |
Article Data | 2 |
The CAS registry number of Propanenitrile,2-[(phenylmethoxy)imino]- is 10388-98-4. This chemical is also named as NSC 122076. In addition, its molecular formula is C10H10N2O and molecular weight is 174.1992. Its IUPAC name is called (2Z)-2-[(benzyloxy)imino]propanenitrile. This chemical's classification codes are Drug; Therapeutic agent.
Physical properties about Propanenitrile,2-[(phenylmethoxy)imino]- are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 23.46; (6)ACD/BCF (pH 7.4): 23.46; (7)ACD/KOC (pH 5.5): 333.05; (8)ACD/KOC (pH 7.4): 333.05; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 52.25 cm3; (14)Molar Volume: 172.1 cm3; (15)Surface Tension: 36.9 dyne/cm; (16)Density: 1.01 g/cm3; (17)Flash Point: 116.6 °C; (18)Enthalpy of Vaporization: 50.73 kJ/mol; (19)Boiling Point: 269.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00737 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#C/C(=N\OCc1ccccc1)C
(2)InChI: InChI=1/C10H10N2O/c1-9(7-11)12-13-8-10-5-3-2-4-6-10/h2-6H,8H2,1H3/b12-9-
(3)InChIKey: XCAOHAULIHZYCV-XFXZXTDPBYThe toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mammal (species unspecified) | LD50 | unreported | 50mg/kg (50mg/kg) | Journal of Pharmaceutical Sciences. Vol. 56, Pg. 307, 1967. |