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| CAS No.: | 626-67-5 |
|---|---|
| Name: | N-Methylpiperidine |
| Molecular Structure: | |
|
|
|
| Formula: | C6H13N |
| Molecular Weight: | 99.1759 |
| Synonyms: | 1-Methylpiperidine; |
| EINECS: | 210-959-9 |
| Density: | 0.844 g/cm3 |
| Melting Point: | -50 °C |
| Boiling Point: | 97.569 °C at 760 mmHg |
| Flash Point: | 3.333 °C |
| Solubility: | Soluble in water, alcohol and ether |
| Appearance: | colorless clear liquid |
| Hazard Symbols: |
 C, F, T
|
| Risk Codes: | 11-34-20/22-39/23/24/25-67 |
| Safety: | 7-16-26-36/37/39-45-9-33 |
| Transport Information: | UN 3286 3/PG 2 |
| PSA: | 3.24000 |
| LogP: | 1.04000 |
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- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
| Conditions | Yield |
|---|---|
| With P(C4H9)3; ruthenium trichloride at 220℃; for 5h; Product distribution; Mechanism; also with or without other catalyst, other phosphines, other temperatures,; | 100% |
| chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium (II) at 100℃; for 3h; | 100% |
| Pt on TiO2 for 20h; Ambient temperature; Irradiation; | 93.4% |
| Conditions | Yield |
|---|---|
| With hydrogen; di-μ-chlorobis(norbornadiene)dirhodium(I) In benzene at 100℃; under 60004.8 Torr; for 6h; | 100% |
| Conditions | Yield |
|---|---|
| With 1,1,3,3-Tetramethyldisiloxane; [((CH3)5C5)IrCl((CH3)2NC6H3C5H4N)]; trityl tetrakis(pentafluorophenyl)borate In 1,1,2,2-tetrachloroethane at 100℃; for 6h; Inert atmosphere; Schlenk technique; Glovebox; chemoselective reaction; | 99% |
| With phenylsilane; caesium carbonate at 25℃; for 30h; Schlenk technique; | 51% |
| With lithium aluminium tetrahydride; diethyl ether |
| Conditions | Yield |
|---|---|
| With 3 % platinum on carbon; hydrogen; toluene-4-sulfonic acid at 120℃; under 30003 Torr; for 3h; Reagent/catalyst; Inert atmosphere; Autoclave; | 99% |
| Conditions | Yield |
|---|---|
| With acetic acid at 30℃; for 2h; | 98% |
| With diiodo(p-cymene)ruthenium(II) dimer In water at 60℃; for 2h; | 95% |
| Stage #1: piperidine; formaldehyd With hydrogenchloride In methanol at 20℃; Stage #2: With N-methylpiperidine zinc borohydride In methanol at 20℃; for 0.1h; | 89% |
| Conditions | Yield |
|---|---|
| at 106℃; for 1h; | A n/a B 96% |
| Conditions | Yield |
|---|---|
| With methylamine | 95% |
- 54105-23-6
1,1'-Dimethyl-3-(2'-piperidyl)-1,4,5,6-tetrahydropyridin
A
- 626-67-5
N-methylcyclohexylamine
B
- 931-20-4
1-methylpiperidin-2-one
C
- 106940-68-5
1-Methyl-3-(5-methylamino-pentyliden)piperidin
| Conditions | Yield |
|---|---|
| With hydrogenchloride; sodium tetrahydroborate In ethanol for 18h; | A n/a B n/a C 88% |
- 17049-50-2
n-decyl magnesium bromide
- 13134-23-1
benzophenone N-methyl-N,N-pentane-1,5-diylhydrazonium iodide
A
- 626-67-5
N-methylcyclohexylamine
B
- 1013-88-3
Benzophenone imine
C
- 124-18-5
decane
D
- 112-95-8
icosane
E
- 872-05-9
1-Decene
| Conditions | Yield |
|---|---|
| In diethyl ether Product distribution; Mechanism; Heating; other quaternary hydrazonium salts, other alkylmagnesium halides; | A 85% B 84% C 51% D 21% E 25% |
| Conditions | Yield |
|---|---|
| Ambient temperature; | 82% |
- Total:19 Page 1 of 1 1
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Standards and Recommendations
Specification
The N-Methylpiperidine, with the CAS registry number 626-67-5, is also known as Piperidine, 1-methyl-. It belongs to the product categories of Piperidine; Building Blocks; Heterocyclic Building Blocks; Piperidines; Alphabetical Listings; Flavors and Fragrances. Its EINECS number is 210-959-9. This chemical's molecular formula is C6H13N and molecular weight is 99.17. What's more, its systematic name is 1-Methylpiperidine. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides. It is used as organic reagent and pharmaceutical intermediates.
Physical properties of N-Methylpiperidine are: (1)ACD/LogP: 1.207; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 31.333 cm3; (15)Molar Volume: 117.509 cm3; (16)Polarizability: 12.421×10-24cm3; (17)Surface Tension: 26.7 dyne/cm; (18)Density: 0.844 g/cm3; (19)Flash Point: 3.333 °C; (20)Enthalpy of Vaporization: 33.705 kJ/mol; (21)Boiling Point: 97.569 °C at 760 mmHg; (22)Vapour Pressure: 41.5 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It can cause burns. You should keep the container tightly closed and keep it in a well-ventilated place. It is toxic as it has a danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed. This substance is harmful by inhalation and if swallowed. Its vapors may cause drowsiness and dizziness. You must take precautionary measures against static discharges. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: N1(C)CCCCC1
(2)Std. InChI: InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3
(3)Std. InChIKey: PAMIQIKDUOTOBW-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 400mg/kg (400mg/kg) | Bulletin of Experimental Biology and Medicine Vol. 86, Pg. 1325, 1978. | |
| rabbit | LDLo | subcutaneous | 400mg/kg (400mg/kg) | Berichte der Deutschen Chemischen Gesellschaft. Vol. 34, Pg. 2408, 1901. | |
| rat | LDLo | oral | 25mg/kg (25mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | National Technical Information Service. Vol. OTS0554064, |