2-methylpyrrolidine

• ChemBase ID: 87222
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: N1C(CCC1)C
• Canonical SMILES: CC1CCCN1
• InChI: InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3
• InChIKey: RGHPCLZJAFCTIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylpyrrolidine
• IUPAC Traditional name: 2-methylpyrrolidine
• Synonyms: 2-Methylpyrrolidine; 2-Methylpyrrolidine; 2-甲基吡咯烷

Database IDs

• CAS Number: 765-38-8
• EC Number: 212-144-3
• MDL Number: MFCD00014491
• PubChem SID: 24871446; 162074338
• PubChem CID: 13003

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.611706
• LogD (pH = 7.4): -2.5516837
• Log P: 0.629494
• Molar Refractivity: 26.6532 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Boiling Point: 97-99 °C/744 mmHg(lit.); 97-99°C°C
• Flash Point: 2°C(37°F); 3°C°C
• Density: 0.834; 0.834 g/mL at 25 °C(lit.)
• Refractive Index: 1.4370; n20/D 1.437(lit.)

Safety Information

• Storage Warning: Highly Flammable/Corrosive
• European Hazard Symbols: Corrosive (C); Flammable (F); Harmful (Xn)
• UN Number: 2924; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-34; 22-36/37/38
• Safety Statements: 24/25-36/37/39; 26
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H225-H314-H318; H302-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2924 3/PG 2

Product Information

• Purity: 96%; 97%; 98%
• Empirical Formula (Hill Notation): C5H11N

DETAILS

Sigma Aldrich - 478059

Packaging
2, 10 g in glass bottle