(1-butylpiperidin-4-yl)methanamine

• ChemBase ID: 297694
• Molecular Formular: C10H22N2
• Molecular Mass: 170.29508
• Monoisotopic Mass: 170.17829871
• SMILES: CCCCN1CCC(CC1)CN
• Canonical SMILES: CCCCN1CCC(CC1)CN
• InChI: InChI=1S/C10H22N2/c1-2-3-6-12-7-4-10(9-11)5-8-12/h10H,2-9,11H2,1H3
• InChIKey: SXSSVNBOMMHRRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-butylpiperidin-4-yl)methanamine
• IUPAC Traditional name: (1-butylpiperidin-4-yl)methanamine
• Synonyms: 1-(n-Butyl)-4-piperidinemethylamine; 4-Aminomethyl-1-(n-butyl)piperidine; C-(1-Butyl-piperidin-4-yl)-methylamine; 4-氨甲基-1-(正丁基)哌啶

Database IDs

• CAS Number: 65017-57-4
• MDL Number: MFCD08060490
• PubChem SID: 180683225
• PubChem CID: 10442133

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.2565665
• LogD (pH = 7.4): -3.7278132
• Log P: 1.185847
• Molar Refractivity: 54.0615 cm^3
• Polarizability: 21.50448 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%