3-methoxypiperidine hydrochloride

• ChemBase ID: 245606
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: N1CC(OC)CCC1.Cl
• Canonical SMILES: COC1CCCNC1.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-8-6-3-2-4-7-5-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: ZRDDHBSVIQRILE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxypiperidine hydrochloride
• IUPAC Traditional name: 3-methoxypiperidine hydrochloride
• Synonyms: 3-methoxypiperidine hydrochloride; 3-Methoxypiperidine hydrochloride; 3-甲氧基哌啶盐酸盐

Database IDs

• CAS Number: 688809-94-1
• MDL Number: MFCD06800959; MFCD07781094
• PubChem SID: 164301516
• PubChem CID: 23142000

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9648023
• LogD (pH = 7.4): -1.9770514
• Log P: 0.22571056
• Molar Refractivity: 32.9481 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96°C
• Hydrophobicity(logP): 0.39

Safety Information

• Storage Warning: Hygroscopic
• 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: 95%