1-Methylpyrrolidine (HCID 8454)

Überblick

1-methylpyrrolidine is a member of the class of pyrrolidines that is pyrrolidine substituted by a methyl group at position 1. It has a role as an impurity, a solvent and an insect repellent. It is functionally related to a pyrrolidine.

Namen und Bezeichner

Bevorzugter Name: 1-Methylpyrrolidine
IUPAC: 1-methylpyrrolidine
Lokaler Name: 1-Methylpyrrolidin
Englischer Name: 1-Methylpyrrolidine
Summenformel: C5H11N
Molmasse: 85.15

Namen und Synonyme

1-METHYLPYRROLIDINE120-94-5N-MethylpyrrolidinePyrrolidine, 1-methyl-N-MethyltetrahydropyrroleDTXSID804221006509TZU6CNSC-65579NSC-65DTXCID6022210RefChem:830788204-438-5

Weitere Namen anzeigen

1-methylPyrrolidine,1-methyl-NSC 655791-Methylpyrrodine1-methyl-pyrrolidincefepiMe iMpurity G

MethylpyrrolidinePYRROLIDINE, N-METHYLMFCD00003173Cefepime Impurity 1N-methyl pyrrolidinemethyl pyrrolidinePYRROLIDINE, N-METHYL-1-Methyl-pyrrolidine

Datenbank-Bezeichner

CAS: 120-94-5
PubChem CID: 8454
DTXSID: DTXSID8042210
ChEMBL: CHEMBL665
ChEBI: CHEBI:234043
UNII: 06509TZU6C
EC Number: 204-438-5
Nikkaji: J102.087K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 37,2

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Nitrogen Compounds -> Amines, Cyclic

Flammable agents - 3rd degree

DrugsPharmaceuticals -> Metabolite of Cefepime

CosmeticsSurfactant

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

LogP0.92

Density0.8054 @25 °C

Physikochemische Eigenschaften

Schmelzpunkt: -90 °C · -90 °C
Siedepunkt: 76 · 76-80 °C (lit.)
Dichte: 0.8 g/mL · 0.800 g/mL at 20 °C (lit.)
Dampfdruck: 100 hPa · 100 hPa (20 °C)
Brechungsindex: 20 · n20/D 1.425
Flammpunkt: 7 °F · −7 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: 213 g/l · 213g/l
pka: 10.32 · 10.32(at 25℃)
Aggregatzustand: Liquid
Farbe: Clear colorless
PH: 11.3 · 11.3 (1g/l, H2O)
Explosionsgrenze: 1.1 · 1.1-9.1%(V)
Wasserlöslichkeit: fully miscible
BRN: 102445 · 102445
Henry's Law Constant: 3.3 · 3.3×10-1 mol/(m3Pa) at 25℃, Cabani et al. (1971)
InChI: 1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
InChIKey: AVFZOVWCLRSYKC-UHFFFAOYSA-N
SMILES: CN1CCCC1
LogP: 1.1 at · 1.1 at 23℃
CAS Datenbank: 120 · 120-94-5(CAS DataBase Reference)
NIST chemische Informationen: 1 · Pyrrolidine, 1-methyl-(120-94-5)
EPA chemische Informationen: N-Methylpyrrolidine (120-94-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 191 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: Pyrrolidine, 1-methyl-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Status: Active Update: 01-07-2015 https://echa.europa.eu/registration-dossier/-/registered-dossier/11871

N-Methylpyrrolidine: Does not have an individual approval but may be used under an appropriate group standard

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.)

Hazards SummaryIntraperitoneal LD50 (mouse) = 178 mg/kg; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2 Einträge

Flam. Liq. 2 (100%)

Flammable agents - 3rd degree, Reactive agents - 1st degree

CSL Reaction Information · 6 Einträge

CSL00039

N-BROMOSUCCINIMIDE + 1-METHYL-2-PYRROLIDINONE + 1-METHYLPYRROLIDINE

Thermal runaway from ambient to >100Â°C

Explosive

Bromination

User-Reported

Sicherheit und Schutzausrüstung

Protective Action Criteria (PAC) · 3 Einträge

0.58 [mg/m3]

6.4 [mg/m3]

39 [mg/m3]

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
hs_code: 2933 99 80
RTECS-Nr.: UY1420500
risk_code: 11-22-34-51/53-35-20/22
Toxizität: LD50 orally in Rabbit: 280 mg/kg
hazard_code: F,C,N
safety_code: 16-26-36/37/39-45-61-29
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 InhalationAquatic Chronic 2Flam. Liq. 2Skin Corr. 1A
Selbstentzündungstemperatur: 170 °C DIN 51794

Chemie und Industrie

Verwendung und Herstellung

UsesPermitted for use as an inert ingredient in non-food pesticide products; [EPA]

Use ClassificationCosmetics -> Surfactant

General Manufacturing InformationPyrrolidine, 1-methyl-: ACTIVE

Anwendungen

Verwenden1-Methylpyrrolidine is a methylated pyrollidine and is involved as an essential part of the structure of cefipime. It is also an active component of cigarette smoke.

Darstellung · 1 Eintrag

synthetischen-methylpyrrolidine was successfully synthesized in an aqueous medium by using methylamine and 1,4-dibromobutane in the presence of catalyst k2co3 at a moderated temperature. here, n-methylpyrrolidine was firstly synthesized via the green chemistry process, in which both the water solvent and potassium carbonate catalyst were inexpensive and environmentally friendly. also, the reaction temperature was quite moderated at 90°C.green organic synthesis of n-methylpyrrolidine