Piperidine,3-(3-methoxyphenyl)- supplier

Name
3-(3-METHOXYPHENYL)-PIPERIDINE
EINECS
CAS No. 79601-21-1
Article Data8
CAS DataBase
Density 1.003 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO
Boiling Point 303.682 °C at 760 mmHg
Molecular Weight 191.273
Flash Point 122.355 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(3-Methoxyphenyl)piperidine;
PSA 21.26000
LogP 2.49100

Piperidine,3-(3-methoxyphenyl)- Specification

The Piperidine,3-(3-methoxyphenyl)-, with the CAS registry number of 79601-21-1, is also known as 3-(3-Methoxyphenyl)piperidine. This chemical's molecular formula is C₁₂H₁₇NO. What's more, both its IUPAC name and systematic name is 3-(3-methoxyphenyl)piperidine.

Physical properties about the Piperidine,3-(3-methoxyphenyl)- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.26 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 57.529 cm³; (15)Molar Volume: 190.674 cm³; (16)Surface Tension: 34.791 dyne/cm; (17)Density: 1.003 g/cm³; (18)Flash Point: 122.355 °C; (19)Enthalpy of Vaporization: 54.399 kJ/mol; (20)Boiling Point: 303.682 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1)C2CCCNC2
(2)InChI:InChI=1/C12H17NO/c1-14-12-6-2-4-10(8-12)11-5-3-7-13-9-11/h2,4,6,8,11,13H,3,5,7,9H2,1H3
(3) InChIKey:LXCUAFVVTHZALS-UHFFFAOYAO

Product Name

3-(3-METHOXYPHENYL)-PIPERIDINE

Piperidine,3-(3-methoxyphenyl)- Specification

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