(2R)-2-methylpyrrolidine

• ChemBase ID: 89136
• Molecular Formular: C5H11N
• Molecular Mass: 85.14754
• Monoisotopic Mass: 85.08914936
• SMILES: N1CCC[C@H]1C
• Canonical SMILES: C[C@@H]1CCCN1
• InChI: InChI=1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m1/s1
• InChIKey: RGHPCLZJAFCTIK-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-methylpyrrolidine
• IUPAC Traditional name: (2R)-2-methylpyrrolidine
• Synonyms: (2R)-(-)-2-Methyltetrahydropyrrole; (2R)-(-)-2-Methyl-1-azacyclopentane; (2R)-(-)-2-Methylpyrrolidine; (R)-2-METHYL-PYRROLIDINE; (R)-(-)-2-Methylpyrrolidine; (R)-(-)-2-甲基吡咯烷

Database IDs

• CAS Number: 41720-98-3
• MDL Number: MFCD07783026
• PubChem SID: 24885467; 162076020
• PubChem CID: 641544

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

• Boiling Point: 97-99°C/744mm
• Flash Point: 44.6 °F; 7 °C; 7°C; 7°C(45°F)
• Density: 0.84; 0.842; 0.842 g/mL at 25 °C(lit.)
• Refractive Index: 1.4300; 1.4353; n20/D 1.4353
• Optical Rotation: -19 (c=5 in methanol)

Safety Information

• Storage Warning: Highly Flammable/Corrosive/Harmful/Keep Cold
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-22-34; 11-34
• Safety Statements: 20-23-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314-H318; H225-H302-H314
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501; P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 98%
• Empirical Formula (Hill Notation): C5H11N

DETAILS

Sigma Aldrich - 679097

Application
Building block used in a multikilogram synthesis of a chiral naphthalenoid histamine receptor antagonist.1
Packaging
1 g in glass bottle