(piperidin-2-yl)methanamine

• ChemBase ID: 76930
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1CCCCC1CN
• Canonical SMILES: NCC1CCCCN1
• InChI: InChI=1S/C6H14N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-5,7H2
• InChIKey: RHPBLLCTOLJFPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (piperidin-2-yl)methanamine; piperidin-2-ylmethanamine
• IUPAC Traditional name: piperidin-2-ylmethanamine
• Synonyms: 2-Piperidinemethanamine; 2-(Aminomethyl)piperidine; 2-Piperidinemethylamine; 2-PiperidylMethylaMine; 1-(Piperidin-2-yl)methylamine; 2-(Aminomethyl)piperidine; 2-氨甲基哌啶; 2-(氨甲基)哌啶

Database IDs

• CAS Number: 22990-77-8
• EC Number: 245-371-1
• MDL Number: MFCD00129011
• Beilstein Number: 102994
• PubChem SID: 24884207; 162041829
• PubChem CID: 90865

CALCULATED PROPERTIES

• Log P: -0.07972908
• Molar Refractivity: 34.4554 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.9061584
• LogD (pH = 7.4): -2.8531988

PROPERTIES

Physical Property

• Boiling Point: 63-66°C/12mm
• Flash Point: 154.4 °F; 68 °C; 68°C(154°F)
• Density: 0.9406 g/mL at 25 °C; 0.942
• Refractive Index: 1.4850; n20/D 1.4854

Safety Information

• Storage Warning: Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 2
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; 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 2735 8/PG 2

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C6H14N2

DETAILS

Sigma Aldrich - 656518

Packaging
25 g in glass bottle
Application
Reactant for reversible aminal formation1Reactant for synthesis of:
• Annulated N-heterocyclic carbene ligands2
• M3 Muscarinic receptor antagonists3
• Selective 5-ht5A receptor antagonists4
• Ternary platinum(II) complexes5