2-Methylpyrrolidin

2-Methylpyrrolidine

HCID 13003CAS 765-38-8

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Grundinformationen

Standard-SMILES: CC1CCCN1
InChIKey: RGHPCLZJAFCTIK-UHFFFAOYSA-N
Summenformel: C5H11N
Durchschnittliche Molmasse: 85,15 g/mol
Monoisotopische Masse: 85,08914935

Überblick

2-methylpyrrolidine is a member of the class of pyrrolidines that is pyrrolidine which is substituted by a methyl group at position 2. It has a role as a plant metabolite.

Namen und Bezeichner

Bevorzugter Name: 2-Methylpyrrolidine
IUPAC: 2-methylpyrrolidine
Lokaler Name: 2-Methylpyrrolidin
Englischer Name: 2-Methylpyrrolidine
Summenformel: C5H11N
Molmasse: 85.15

Namen und Synonyme

2-METHYLPYRROLIDINE765-38-8Pyrrolidine, 2-methyl-CHEBI:145240DTXSID70883347RefChem:88382DTXCID70869429212-144-3MFCD000144912-methyl pyrrolidine2-Methyl-pyrrolidine2-methylpyrolidine

Weitere Namen anzeigen

RMA-5592-methyl-pyrrolidin2-MethylpyrrolidineHCl2-methyl-1-pyrrolidine2-Methylpyrrolidine,98%2-Methylpyrrolidine, 98% 2GRHydroxychloroquine Impurity 16Hydroxychloroquine Impurity 56

2-methylpyrroldine2-methyl-pyrolidineEINECS 212-144-3rac-2-methyl-pyrrolidinerac.-2-methylpyrrolidine2-(RS)-methylpyrrolidineracemic 2-methylpyrrolidine2-Methylpyrrolidine, 96%

Datenbank-Bezeichner

CAS: 765-38-8
PubChem CID: 13003
DTXSID: DTXSID70883347
ChEBI: CHEBI:145240
EC Number: 212-144-3
Nikkaji: J193.131H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 43,2

Physikochemische Eigenschaften

Schmelzpunkt: -96.37 °C · -96.37°C (estimate)
Siedepunkt: 97 · 97-99 °C/744 mmHg (lit.)
Dichte: 0.834 g/mL · 0.834 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.437(lit.)
Flammpunkt: 37 °F · 37 °F
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
pka: 10.93 · 10.93±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to light yellow
Wasserlöslichkeit: soluble
InChI: InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3
InChIKey: RGHPCLZJAFCTIK-UHFFFAOYSA-N
SMILES: N1CCCC1C
CAS Datenbank: 765 · 765-38-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Methylpyrrolidine(765-38-8)
EPA chemische Informationen: 2 · Pyrrolidine, 2-methyl- (765-38-8)

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, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationChemical: Pyrrolidine, 2-methyl-

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 2924 3/PG 2
hs_code: 29339900
risk_code: 11-34-22
hazard_code: F,C
safety_code: 16-26-36/37/39-45
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPyrrolidine, 2-methyl-: INACTIVE

Anwendungen

Verwenden2-Methylpyrrolidine can be used to produce2-(2-methylpyrrolidinyl)benzaldehydeat the temperature of152°C. It is commonly used as organic reagent.