1-(pyridin-2-yl)piperidin-4-amine hydrochloride

• ChemBase ID: 297745
• Molecular Formular: C10H16ClN3
• Molecular Mass: 213.70714
• Monoisotopic Mass: 213.10327521
• SMILES: c1ccnc(c1)N1CCC(CC1)N.Cl
• Canonical SMILES: NC1CCN(CC1)c1ccccn1.Cl
• InChI: InChI=1S/C10H15N3.ClH/c11-9-4-7-13(8-5-9)10-3-1-2-6-12-10;/h1-3,6,9H,4-5,7-8,11H2;1H
• InChIKey: HNICPQFPDAEZKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-2-yl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(pyridin-2-yl)piperidin-4-amine hydrochloride
• Synonyms: 1-(2-Pyridyl)-4-piperidinamine hydrochloride; 4-Amino-1-(2-pyridyl)piperidine hydrochloride; 4-氨基-1-(2-吡啶基)哌啶盐酸盐

Database IDs

• CAS Number: 77145-39-2
• MDL Number: MFCD09607833
• PubChem SID: 180683276
• PubChem CID: 45786931

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2343316
• LogD (pH = 7.4): -1.8603023
• Log P: 0.6692526
• Molar Refractivity: 54.025 cm^3
• Polarizability: 20.579117 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• 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%