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CAS No.: | 4045-29-8 |
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Name: | 3-Methoxypiperidine |
Article Data: | 6 |
Molecular Structure: | |
Formula: |
C6H13NO |
Molecular Weight: | 115.175 |
Synonyms: | Piperidine, 3-methoxy-;3-Methoxy-piperidine hydrochloride; |
Density: | 0.93 g/cm3 |
Boiling Point: | 149.9 °C at 760 mmHg |
Flash Point: | 49.7 °C |
Hazard Symbols: | Xi |
PSA: | 21.26000 |
LogP: | 0.71360 |
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