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Substance Name: N-Methylpyrrolidine
RN: 120-94-5
UNII: 06509TZU6C
InChIKey: AVFZOVWCLRSYKC-UHFFFAOYSA-N

Molecular Formula

  • C5-H11-N

Molecular Weight

  • 85.1489
 
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Names and Synonyms

Name of Substance

  • N-Methylpyrrolidine

Synonyms

  • 1-Methylpyrrolidine
  • 5-20-01-00166 (Beilstein Handbook Reference)
  • BRN 0102445
  • EC 204-438-5
  • EINECS 204-438-5
  • Methylpyrrolidine
  • N-Methylpyrrolidine
  • N-Methyltetrahydropyrrole
  • NSC 65579
  • PYRROLIDINE, N-METHYL-
  • UNII-06509TZU6C

Systematic Names

  • 1-Methylpyrrolidine
  • Pyrrolidine, 1-methyl-

Superlist Names

  • 1-Methylpyrrolidine
  • N-Methylpyrrolidine
  • Pyrrolidine, 1-methyl-

Registry Numbers

CAS Registry Number

  • 120-94-5

FDA UNII

  • 06509TZU6C

Related Registry Numbers

  • 36520-42-0 (hydrochloride)
  • 51368-35-5 (hydrobromide)

System Generated Number

  • 0000120945

Structure Descriptors

InChI

1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3

InChIKey

AVFZOVWCLRSYKC-UHFFFAOYSA-N

Smiles

N1(CCCC1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 178mg/kg (178mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946.
mouse LD50 intravenous 47mg/kg (47mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 88, Pg. 82, 1946.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 81 deg C   EXP
pKa Dissociation Constant 10.32 (none) 25 EXP
log P (octanol-water) 0.92 (none)   EXP
Water Solubility 2.13E+05 mg/L 25 EST
Vapor Pressure 100 mm Hg 25 EXP
Henry's Law Constant 3.01E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 8.27E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.