piperidin-4-ylmethanamine

• ChemBase ID: 88944
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: N1CCC(CC1)CN
• Canonical SMILES: NCC1CCNCC1
• InChI: InChI=1S/C6H14N2/c7-5-6-1-3-8-4-2-6/h6,8H,1-5,7H2
• InChIKey: LTEKQAPRXFBRNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-4-ylmethanamine
• IUPAC Traditional name: 4-piperidinemethanamine
• Synonyms: 4-Piperidinemethylamine; (Piperidin-4-yl)methylamine; 4-(Aminomethyl)piperidine; 4-Piperidinemethanamine; 4-AMP; 4-(Aminomethyl)piperidine; 4-氨甲基哌啶

Database IDs

• CAS Number: 7144-05-0
• EC Number: 230-446-3
• MDL Number: MFCD00006007
• Beilstein Number: 471185
• PubChem SID: 24891098; 162075830
• PubChem CID: 23527

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.7760396
• LogD (pH = 7.4): -5.8900156
• Log P: -0.5210999
• Molar Refractivity: 34.8932 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 23-25°C; 25 °C(lit.); 25°C
• Boiling Point: 199-200°C; 200 °C(lit.); 200°C
• Flash Point: 172.4 °F; 78 °C; 78°C; 79°C(174°F)
• Density: 0.952
• Refractive Index: 1.4900; n20/D 1.49(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive
• European Hazard Symbols: Corrosive (C)
• UN Number: 3259; UN3259
• German water hazard class: 3
• 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: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 2

Product Information

• Purity: 96%; 98+%
• Empirical Formula (Hill Notation): C6H14N2

DETAILS

MP Biomedicals - 05204998

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A65158

Packaging
5, 25 g in glass bottle
Application
Reactant:
• Evaulated as a small molecule inhibitor of CD4-gp120 binding1Reagent
• Involved in solvothermal preparation of germanium oxide hydroxide 3D net zeotype2
• Involved in zeolite synthesis3,4Coupling agent for adhesive systems5

REFERENCES

• Reagent for rapid cleavage of the Fmoc group in peptide synthesis, particularly recommended in conjunction with Fmoc-protected acid chlorides as the active species: J. Org. Chem., 55, 721 (1990). See also Tris(2-aminoethyl)amine, B21789. See Appendix 6.