1-(3-methylpyridin-2-yl)piperidin-4-amine

• ChemBase ID: 297599
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: Cc1cccnc1N1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)c1ncccc1C
• InChI: InChI=1S/C11H17N3/c1-9-3-2-6-13-11(9)14-7-4-10(12)5-8-14/h2-3,6,10H,4-5,7-8,12H2,1H3
• InChIKey: MEDSFHSPUSUMIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methylpyridin-2-yl)piperidin-4-amine
• IUPAC Traditional name: 1-(3-methylpyridin-2-yl)piperidin-4-amine
• Synonyms: 1-(3-Methylpyridin-2-yl)piperidin-4-amine; 4-Amino-1-(3-methyl-2-pyridyl)piperidine; 4-氨基-1-(3-甲基-2-吡啶)哌啶

Database IDs

• CAS Number: 902837-09-6
• MDL Number: MFCD08060981
• PubChem SID: 180683130
• PubChem CID: 24208822

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.0084994
• LogD (pH = 7.4): -1.4234684
• Log P: 1.1826739
• Molar Refractivity: 59.0662 cm^3
• Polarizability: 22.34561 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 99%