1-Benzylpiperidin-4-one oxime supplier

Name
1-benzyl-4-piperidone oxime
EINECS 213-443-1
CAS No. 949-69-9
Article Data16
CAS DataBase
Density 1.12g/cm³
Solubility
Melting Point
Formula C₁₂H₁₆N₂O
Boiling Point 338.5°C at 760 mmHg
Molecular Weight 204.272
Flash Point 158.5°C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Piperidone,1-benzyl-, oxime (6CI,7CI,8CI);1-Benzyl-4-piperidinone oxime;1-Benzyl-4-piperidone oxime;
PSA 35.83000
LogP 2.05050

1-Benzylpiperidin-4-one oxime Specification

The 1-Benzylpiperidin-4-one oxime with the CAS number 949-69-9 is also called 4-Piperidinone,1-(phenylmethyl)-, oxime. The IUPAC name is N-(1-benzylpiperidin-4-ylidene)hydroxylamine. Its EINECS registry number is 213-443-1. The molecular formula is C₁₂H₁₆N₂O. The product category is Piperidine.

The properties of the chemical are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 1.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.38; (7)ACD/KOC (pH 5.5): 5.35; (8)ACD/KOC (pH 7.4): 119.54; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 24.83 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 60.61 cm³; (15)Molar Volume: 181.5 cm³; (16)Polarizability: 24.02×10^-24cm³; (17)Surface Tension: 44 dyne/cm ; (18)Enthalpy of Vaporization: 61.41 kJ/mol; (19)Vapour Pressure: 3.82×10^-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C2\CCN(Cc1ccccc1)CC2
(2)InChI: InChI=1/C12H16N2O/c15-13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,15H,6-10H2
(3)InChIKey: VIMRHNNRKUWOIZ-UHFFFAOYAI

Product Name

1-benzyl-4-piperidone oxime

1-Benzylpiperidin-4-one oxime Specification

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