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Substance Name: N-Methylpyrrole
RN: 96-54-8
UNII: NG5GPN98ZG
InChIKey: OXHNLMTVIGZXSG-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C5-H7-N

Molecular Weight

  • 81.1173
 
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Names and Synonyms

Name of Substance

  • N-Methylpyrrole

Synonyms

  • 1-Methylpyrrole
  • CCRIS 2934
  • EINECS 202-513-7
  • N-Methylpyrrole
  • NSC 65440
  • UNII-NG5GPN98ZG

Systematic Names

  • 1-Methylpyrrole
  • 1H-Pyrrole, 1-methyl-
  • N-Methylpyrrole
  • Pyrrole, 1-methyl-

Superlist Name

  • Methylpyrrole

Registry Numbers

CAS Registry Number

  • 96-54-8

FDA UNII

  • NG5GPN98ZG

System Generated Number

  • 0000096548

Structure Descriptors

InChI

1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3

InChIKey

OXHNLMTVIGZXSG-UHFFFAOYSA-N

Smiles

Cn1cccc1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 115 deg C   EXP
pKa Dissociation Constant -3.15E+00 (none)   EXP
log P (octanol-water) 1.21 (none)   EXP
Water Solubility 1.21E+04 mg/L 25 EST
Vapor Pressure 21.4 mm Hg 25 EXP
Henry's Law Constant 1.94E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-10 cm3/molecule-sec 25 EST

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