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N-Methylpiperidine

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Name

N-Methylpiperidine

EINECS 210-959-9
CAS No. 626-67-5 Density 0.844 g/cm3
PSA 3.24000 LogP 1.04000
Solubility Soluble in water, alcohol and ether Melting Point -50 °C
Formula C6H13N Boiling Point 97.569 °C at 760 mmHg
Molecular Weight 99.1759 Flash Point 3.333 °C
Transport Information UN 3286 3/PG 2 Appearance colorless clear liquid
Safety 7-16-26-36/37/39-45-9-33 Risk Codes 11-34-20/22-39/23/24/25-67
Molecular Structure Molecular Structure of 626-67-5 (N-Methylpiperidine) Hazard Symbols CorrosiveC,FlammableF,ToxicT
Synonyms

1-Methylpiperidine;

Article Data 204

N-Methylpiperidine Synthetic route

110-89-4

piperidine

67-56-1

methanol

626-67-5

N-methylcyclohexylamine

Conditions
ConditionsYield
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%
694-55-3

N-methyl-3,4-didehydropiperidine

201230-82-2

carbon monoxide

626-67-5

N-methylcyclohexylamine

Conditions
ConditionsYield
With hydrogen; di-μ-chlorobis(norbornadiene)dirhodium(I) In benzene at 100℃; under 60004.8 Torr; for 6h;100%
2591-86-8

N-Formylpiperidine

626-67-5

N-methylcyclohexylamine

Conditions
ConditionsYield
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
110-89-4

piperidine

149-73-5

trimethyl orthoformate

626-67-5

N-methylcyclohexylamine

Conditions
ConditionsYield
With 3 % platinum on carbon; hydrogen; toluene-4-sulfonic acid at 120℃; under 30003 Torr; for 3h; Reagent/catalyst; Inert atmosphere; Autoclave;99%
110-89-4

piperidine

50-00-0

formaldehyd

626-67-5

N-methylcyclohexylamine

Conditions
ConditionsYield
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%
110-89-4

piperidine

(1H-indol-3-yl)dimethylsulfonium perchlorate

A

626-67-5

N-methylcyclohexylamine

B

40015-10-9

3-methylthioindole

Conditions
ConditionsYield
at 106℃; for 1h;A n/a
B 96%
111-29-5

1 ,5-pentanediol

626-67-5

N-methylcyclohexylamine

Conditions
ConditionsYield
With methylamine95%
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
ConditionsYield
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
ConditionsYield
In diethyl ether Product distribution; Mechanism; Heating; other quaternary hydrazonium salts, other alkylmagnesium halides;A 85%
B 84%
C 51%
D 21%
E 25%
67-56-1

methanol

173978-45-5

C8H16LiN

626-67-5

N-methylcyclohexylamine

Conditions
ConditionsYield
Ambient temperature;82%

N-Methylpiperidine Consensus Reports

Reported in EPA TSCA Inventory.

N-Methylpiperidine Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

N-Methylpiperidine 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,

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