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1-Methylpiperidin

N-Methylpiperidine

HCID 12291
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Grundinformationen

CAS
626-67-5
Standard-SMILES
CN1CCCCC1
InChIKey
PAMIQIKDUOTOBW-UHFFFAOYSA-N
Summenformel
C6H13N
Durchschnittliche Molmasse
99,17 g/mol
Monoisotopische Masse
99,10479942

Überblick

1-methylpiperidine appears as a colorless liquid with the odor of pepper. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals.

Namen und Bezeichner

Bevorzugter Name
N-Methylpiperidine
IUPAC
1-methylpiperidine
Lokaler Name
1-Methylpiperidin
Englischer Name
N-Methylpiperidine
Summenformel
C6H13N
Molmasse
99.17

Namen und Synonyme

1-MethylpiperidineN-METHYLPIPERIDINE626-67-5Piperidine, 1-methyl-617374QZN4DTXSID8060822RefChem:163887DTXCID0043420210-959-9methylpiperidinemethylpiperdineLK 20
Weitere Namen anzeigen
NMPPRN-MEPIPlk201-Pipecolinepiperidine soL1-METHYLPIPERDINE1-methyl-piperidinN-methylpepiridine
1-methylpiperadine1-Methyl-piperidineTP1/Mepiquat chlorideMFCD00006491UN 2399N-methyl piperidineEINECS 210-959-9UN2399

Datenbank-Bezeichner

CAS
626-67-5
PubChem CID
12291
DTXSID
DTXSID8060822
ChEMBL
CHEMBL281417
UNII
617374QZN4
EC Number
210-959-9
Nikkaji
J39.106I

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
1,3
Polarare Oberfläche (TPSA)
3,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
7
Formalladung
0
Komplexität
46,1

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 3rd degree
SpringerMaterials PropertiesBoiling point
Physical Description1-methylpiperidine appears as a colorless liquid with the odor of pepper. May irritate skin and eyes. Vapors heavier than air. Used as a solvent and to make other chemicals.
Ionization Efficiency · 6 Einträge

Positive

3.01

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Dissociation Constants10.1

Physikochemische Eigenschaften

Schmelzpunkt
-50 °C · -50 °C
Siedepunkt
106 · 106-107 °C (lit.)
Dichte
0.816 g/mL · 0.816 g/mL at 25 °C (lit.)
Dampfdruck
35.7 hPa · 35.7hPa at 20℃

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 279 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Piperidine, 1-methyl-

REACH registered substance: 1-methylpiperidine (EC: 210-959-9)

Piperidine, 1-methyl-: HSNO Approval: HSR001201 Approved with controls

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelFlammable Liquid Corrosive
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· Flammable/combustible material.

Health Hazards · 2 Einträge

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· May cause toxic effects if inhaled or ingested.

DOT ID and Guide2399 132

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPiperidine, 1-methyl-: ACTIVE
Anwendungen · 2 Einträge

BeschreibungThis simple piperidine derivative has been obtained from Girgensohnia diptera Bge. It is optically inactive and furnishes a crystalline picrate, m.p. 15 I-2°C and a picrolonate, m.p. 226°C.

VerwendenReactant for: ·sp3 C-H Bond activation with ruthenium(II) catalysts and C(3)-alkylation of cyclic amines ·One-pot synthesis of Z-cinnamic acids Reactant for synthesis of: ·Unsymmetrical ureas ·Antibacterial imidazolium, pyrrolidinium, and piperidinium salts ·C1-C16 segment of goniodomin A via palladium-catalyzed organostannane thioester coupling ·Multi-targeted inhibitors of insulin-like growth factor-1 receptor and members of ErbB-family receptor kinases

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Solid sodium hydroxideisopropyl DL-methionate hydrochlorideN'-methylpentane-1,5-diamine1-Methylpiperidin-2-on1,2,3,4-Tetrahydro-1-methylpyridin1-Methylpyridiniumchlorid5-Aminopentan-1-olPiperidin-N-carbaldehyd

Nachgelagerte Produkte

Zugehörige Reaktionen

181
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 929
HRID 929als Eduktuspto-grants-1998_03
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HRID 2752als Eduktuspto-grants-1998_03
Reaktionsgleichung von HRID 9834
HRID 9834als Eduktuspto-grants-2006_08
Reaktionsgleichung von HRID 35961
HRID 35961als Eduktuspto-grants-1995_05
Reaktionsgleichung von HRID 89638
HRID 89638als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 104129
HRID 104129als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 110499
HRID 110499als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 113031
HRID 113031als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
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Brechungsindex
20 · n20/D 1.438
Flammpunkt
38 °F · 38 °F
storage temp.
20 °C · −20°C
Löslichkeit
Chloroform (Sparingly), Methanol (Slightly)
pka
10.08 · 10.08(at 25℃)
Aggregatzustand
Liquid
Farbe
Clear colorless
PH
12 · 12 (100g/l, H2O, 20℃)
Explosionsgrenze
1.1 · 1.1-9.9%(V)
Biologische Quelle
synthetic
Wasserlöslichkeit
miscible
BRN
1073 · 1073
Henry's Law Constant
2.4 · 2.4×10-1 mol/(m3Pa) at 25℃, Abraham et al. (1994)
Dielectric constant
2.59 · 2.5899999999999999
InChI
1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3
InChIKey
PAMIQIKDUOTOBW-UHFFFAOYSA-N
SMILES
CN1CCCCC1
LogP
1.15 at · 1.15 at 25℃
CAS Datenbank
626 · 626-67-5(CAS DataBase Reference)
NIST chemische Informationen
1 · Piperidine, 1-methyl-(626-67-5)
EPA chemische Informationen
1 · Piperidine, 1-methyl- (626-67-5)
Reactive Group
Amines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 Eintrag

1-METHYLPIPERIDINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

DOT Hazard Classification · 5 Einträge

1-Methylpiperidine

UN2399

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

Class 3 Flammable and combustible liquid (49 eCFR § 173.120)

PG II: the degree of danger presented by the material is medium

Air and Water ReactionsHighly flammable. Soluble in water.
Hazard Classes and Categories · 3 Einträge

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

Flammable agents - 3rd degree

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures · 2 Einträge

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.

First Aid · 2 Einträge

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation · 2 Einträge

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.

Sicherheitsdaten

F
3-10
wgk
3
tsca
TSCA listed
ridadr
UN 2399
hs_code
29333999
RTECS-Nr.
TN1225000
risk_code
11-34-20/22-39/23/24/25-23/24/25-67-22-10-37
Toxizität
LD50 intraperitoneal in mouse: 400mg/kg
hazard_code
C,F,T
safety_code
7-16-26-36/37/39-45-9-33
hazard_class
3
packing_group
II
Speicherklasse
3 - Flammable liquids
Hazard Classifications
Acute Tox. 3 InhalationAcute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
1,1-Dimethylpiperidiniumchlorid1-PropylpiperidineMepiquatPIPERIDIN-1-YL-ACETIC ACID1-Ethylpiperidin1-Butyl-1-methylpiperidinium Bromide1-Butylpyrrolidin1-Butylpiperidin1-(2-CHLORO-4-NITRO-PHENYL)-PIPERIDINE