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Propanenitrile,2-[(phenylmethoxy)imino]-

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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 Molecular Structure of 10388-98-4 ((2Z)-2-[(benzyloxy)imino]propanenitrile) Hazard Symbols N/A
Synonyms

Pyruvonitrile,O-benzyloxime (7CI,8CI);NSC 122076;

Article Data 2

Propanenitrile,2-[(phenylmethoxy)imino]- Specification

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.
 

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