2-Pyridinecarboxaldehyde,O-(3-methylbutyl)oxime supplier

Name
2-PYRIDINEALDOXIME O-ISOAMYL ETHER
EINECS
CAS No. 6267-20-5
Density 0.984 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆N₂O
Boiling Point 281.673 °C at 760 mmHg
Molecular Weight 192.261
Flash Point 124.151 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Picolinaldehyde,O-isopentyloxime (7CI);NSC 37935;N-(3-Methylbutoxy)-1-pyridin-2-ylmethanimine;
PSA 34.48000
LogP 2.47820

2-Pyridinecarboxaldehyde,O-(3-methylbutyl)oxime Specification

The 2-Pyridinecarboxaldehyde,O-(3-methylbutyl)oxime, with the CAS registry number 6267-20-5, is also known as Picolinaldehyde,O-isopentyloxime (7CI). This chemical's molecular formula is C₁₁H₁₆N₂O and molecular weight is 192.26. What's more, its IUPAC name is N-(3-methylbutoxy)-1-pyridin-2-ylmethanimine. Its classification code is Drug / Therapeutic Agent.

Physical properties of 2-Pyridinecarboxaldehyde,O-(3-methylbutyl)oxime are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 108; (6)ACD/BCF (pH 7.4): 108; (7)ACD/KOC (pH 5.5): 989; (8)ACD/KOC (pH 7.4): 995; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.48 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 57.817 cm³; (15)Molar Volume: 195.313 cm³; (16)Polarizability: 22.92×10^-24cm³; (17)Surface Tension: 32.94 dyne/cm; (18)Density: 0.984 g/cm³; (19)Flash Point: 124.151 °C; (20)Enthalpy of Vaporization: 49.958 kJ/mol; (21)Boiling Point: 281.673 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCON=CC1=CC=CC=N1
(2)Isomeric SMILES: CC(C)CCO/N=C/C1=CC=CC=N1
(3)InChI: InChI=1S/C11H16N2O/c1-10(2)6-8-14-13-9-11-5-3-4-7-12-11/h3-5,7,9-10H,6,8H2,1-2H3/b13-9+
(4)InChIKey: MZJMRIJVYKXBNB-UKTHLTGXSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	200mg/kg (200mg/kg)		Journal of Heterocyclic Chemistry. Vol. 16, Pg. 1459, 1979.

Product Name

2-PYRIDINEALDOXIME O-ISOAMYL ETHER

2-Pyridinecarboxaldehyde,O-(3-methylbutyl)oxime Specification

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