1-(3-chloropyridin-2-yl)piperidin-4-amine hydrochloride

• ChemBase ID: 297937
• Molecular Formular: C10H15Cl2N3
• Molecular Mass: 248.1522
• Monoisotopic Mass: 247.06430286
• SMILES: c1cc(c(nc1)N1CCC(CC1)N)Cl.Cl
• Canonical SMILES: NC1CCN(CC1)c1ncccc1Cl.Cl
• InChI: InChI=1S/C10H14ClN3.ClH/c11-9-2-1-5-13-10(9)14-6-3-8(12)4-7-14;/h1-2,5,8H,3-4,6-7,12H2;1H
• InChIKey: NOSKSNWYGYGGBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chloropyridin-2-yl)piperidin-4-amine hydrochloride
• IUPAC Traditional name: 1-(3-chloropyridin-2-yl)piperidin-4-amine hydrochloride
• Synonyms: 1-(3-Chloro-2-pyridyl)piperidin-4-amine hydrochloride; 4-Amino-1-(3-chloro-2-pyridyl)piperidine hydrochloride; 4-氨基-1-(3-氯-2-吡啶基)哌啶盐酸盐

Database IDs

• CAS Number: 77145-35-8
• MDL Number: MFCD16251586
• PubChem SID: 180683468
• PubChem CID: 69359259

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8114122
• LogD (pH = 7.4): -1.2128403
• Log P: 1.2732972
• Molar Refractivity: 58.8298 cm^3
• Polarizability: 22.461113 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 265-267°C

Safety Information

• 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: 97%