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CAS No.: | 104678-13-9 |
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Name: | 2-(Methoxymethyl)piperidine |
Molecular Structure: | |
Formula: | C7H15NO |
Molecular Weight: | 129.202 |
Synonyms: | CHEMBRDG-BB 4002970;2-(METHOXYMETHYL)PIPERIDINE;OTAVA-BB 1147285;2-(methoxymethyl)piperidine(SALTDATA: HCl);2-(methoxymethyl)piperidine 1HCl |
Density: | 0.882 g/cm3 |
Boiling Point: | 167.8 °C at 760 mmHg |
Flash Point: | 60.1 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 21.26000 |
LogP: | 1.10370 |
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This chemical is called 2-(Methoxymethyl)piperidine, and its CAS registry number is 104678-13-9. With the molecular formula of C7H15NO, its molecular weight is 129.20. It's irritating, be careful if you use it.
Other characteristics of the 2-(Methoxymethyl)piperidine can be summarised as followings: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.56; (4)ACD/LogD (pH 7.4): -2.29; (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 #H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.425; (13)Molar Refractivity: 37.47 cm3; (14)Molar Volume: 146.4 cm3; (15)Polarizability: 14.85×10-24cm3; (16)Surface Tension: 27.9 dyne/cm; (17)Density: 0.882 g/cm3; (18)Flash Point: 60.1 °C; (19)Enthalpy of Vaporization: 40.42 kJ/mol; (20)Boiling Point: 167.8 °C at 760 mmHg; (21)Vapour Pressure: 1.67 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O(C)CC1NCCCC1
2.InChI: InChI=1/C7H15NO/c1-9-6-7-4-2-3-5-8-7/h7-8H,2-6H2,1H3
3.InChIKey: IBPHVNKZLOQXAX-UHFFFAOYAY