1-(prop-2-en-1-yl)piperidine

• ChemBase ID: 123295
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: N1(CC=C)CCCCC1
• Canonical SMILES: C=CCN1CCCCC1
• InChI: InChI=1S/C8H15N/c1-2-6-9-7-4-3-5-8-9/h2H,1,3-8H2
• InChIKey: KYGMSGYKSGNPHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(prop-2-en-1-yl)piperidine
• IUPAC Traditional name: 1-(prop-2-en-1-yl)piperidine
• Synonyms: 1-allylpiperidine; 1-Allylpiperidine; 1-烯丙基哌啶

Database IDs

• CAS Number: 14446-67-4
• EC Number: 000-000-0
• MDL Number: MFCD00078381
• Beilstein Number: 107480
• PubChem SID: 162217648
• PubChem CID: 139756

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.5877146
• LogD (pH = 7.4): -0.23262954
• Log P: 1.7717854
• Molar Refractivity: 41.2928 cm^3
• Polarizability: 16.06087 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 151-152°C
• Refractive Index: 1.4580

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%