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

Name
(2Z)-2-[(benzyloxy)imino]propanenitrile
EINECS
CAS No. 10388-98-4
Article Data2
CAS DataBase
Density 1.01 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀N₂O
Boiling Point 269.2 °C at 760 mmHg
Molecular Weight 174.1992
Flash Point 116.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyruvonitrile,O-benzyloxime (7CI,8CI);NSC 122076;
PSA
LogP

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.

Product Name

(2Z)-2-[(benzyloxy)imino]propanenitrile

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

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