4-(methoxymethyl)piperidine hydrochloride

• ChemBase ID: 15426
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: N1CCC(COC)CC1.Cl
• Canonical SMILES: COCC1CCNCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-9-6-7-2-4-8-5-3-7;/h7-8H,2-6H2,1H3;1H
• InChIKey: FLRDPZJPRQWKLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methoxymethyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(methoxymethyl)piperidine hydrochloride
• Synonyms: 4-(Methoxymethyl)piperidine hydrochloride; 4-(Methoxymethyl)piperidine hydrochloride; 4-(甲氧甲基)盐酸哌啶

Database IDs

• CAS Number: 916317-00-5
• MDL Number: MFCD08062602
• PubChem SID: 160978733
• PubChem CID: 17218599

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0025132
• LogD (pH = 7.4): -2.5417588
• Log P: 0.22890837
• Molar Refractivity: 37.9869 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 0.183

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 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%; 95%; 98%