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3-Methoxypiperidine

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Name

3-Methoxypiperidine

EINECS N/A
CAS No. 4045-29-8 Density 0.93 g/cm3
PSA 21.26000 LogP 0.71360
Solubility N/A Melting Point N/A
Formula C6H13NO
Boiling Point 149.9 °C at 760 mmHg
Molecular Weight 115.175 Flash Point 49.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4045-29-8 (3-Methoxypiperidine) Hazard Symbols Xi
Synonyms

Piperidine, 3-methoxy-;3-Methoxy-piperidine hydrochloride;

Article Data 6

3-Methoxypiperidine Specification

The 3-Methoxypiperidine with the cas number 4045-29-8 is also called Piperidine, 3-methoxy-. Its molecular formula is C6H13NO. The product Category is pharmacetical. This chemical is sensitive to air. And it is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.09; (4)ACD/LogD (pH 7.4): -2.57; (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: 1; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.448; (14)Molar Refractivity: 33.14 cm3; (15)Molar Volume: 123.7 cm3; (16)Polarizability: 13.14×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Enthalpy of Vaporization: 38.68 kJ/mol; (19)Vapour Pressure: 3.93 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C1CCCNC1
(2)InChI: InChI=1/C6H13NO/c1-8-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3
(3)InChIKey: MRWRHHSVHWCISU-UHFFFAOYAR

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