piperidin-1-amine

• ChemBase ID: 87273
• Molecular Formular: C5H12N2
• Molecular Mass: 100.16218
• Monoisotopic Mass: 100.10004839
• SMILES: N1(CCCCC1)N
• Canonical SMILES: NN1CCCCC1
• InChI: InChI=1S/C5H12N2/c6-7-4-2-1-3-5-7/h1-6H2
• InChIKey: LWMPFIOTEAXAGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-1-amine
• IUPAC Traditional name: N-aminopiperidine
• Synonyms: Piperidin-1-amine; 1-Aminopiperidine 98%; 1-Piperidinamine; Pentamethylenehydrazine; Piperidin-1-ylamine; 1-Aminopiperidine; piperidin-1-amine; 1-氨基哌啶

Database IDs

• CAS Number: 2213-43-6
• EC Number: 218-666-8
• MDL Number: MFCD00006489
• Beilstein Number: 383565
• PubChem SID: 24891255; 162074384
• PubChem CID: 16658

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.66642547
• LogD (pH = 7.4): -0.036162924
• Log P: -0.017654063
• Molar Refractivity: 31.3195 cm^3
• Polarizability: 12.067715 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 145-147°C; 146 °C/730 mmHg(lit.); 146°C
• Flash Point: 36 °C; 36°C; 36°C(96°F); 96.8 °F
• Density: 0.928; 0.928 g/mL at 25 °C(lit.)
• Refractive Index: 1.4750; n20/D 1.475(lit.)

Safety Information

• Storage Warning: Irritant/Flammable
• RTECS: TM4165000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 1993; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-34; 10-36/37/38
• Safety Statements: 16-26-36/37/39; 20-23-26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C5H12N2

DETAILS

Sigma Aldrich - A75900

Other Notes
remainder piperidine
Packaging
10, 25, 100 g in glass bottle
Application
Reactant for synthesis of:
• CB1 cannabinoid receptor ligands1†
• Hydrazones2†
• Tetrahydronaphthalene derivatives affecting proliferation and nitric oxide production in LPS activated RAW 264.7 macrophages3
• Phosphorus(V) hydrazines4