4-[3-(4-butoxyphenoxy)propyl]morpholine hydrochloride

• ChemBase ID: 102942
• Molecular Formular: C17H28ClNO3
• Molecular Mass: 329.86212
• Monoisotopic Mass: 329.17577144
• SMILES: Cl.CCCCOc1ccc(OCCCN2CCOCC2)cc1
• Canonical SMILES: CCCCOc1ccc(cc1)OCCCN1CCOCC1.Cl
• InChI: InChI=1S/C17H27NO3.ClH/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18;/h5-8H,2-4,9-15H2,1H3;1H
• InChIKey: SYCBXBCPLUFJID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(4-butoxyphenoxy)propyl]morpholine hydrochloride
• IUPAC Traditional name: pramoxine hydrochloride
• Synonyms: Pramoxine hydrochloride; 4-(3-(p-Butoxyphenoxy) propyl)-morpholine hydrochloride; p-Butoxyphenyl gamma-mopholinopropyl ether hydrochloride; Proctofoam; Tronothane hydrochloride; PRAXOMINE HYDROCHLORIDE; Pramoxine HCl; Pramoxine hydrochloride; 普莫卡因 盐酸盐

Database IDs

• CAS Number: 637-58-1
• EC Number: 211-293-1
• MDL Number: MFCD00054323
• PubChem SID: 24899036; 162089601
• PubChem CID: 73957

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2722777
• LogD (pH = 7.4): 2.6775775
• Log P: 2.841906
• Molar Refractivity: 84.817 cm^3
• Polarizability: 33.426414 Å^3
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: QD8750000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38; R:22-36/37/38-43
• Safety Statements: 26-36; S:26-36-46
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Target: Others

Product Information

• Purity: ≥98%
• Salt Data: N/A

DETAILS

Sigma Aldrich - P9422

Biochem/physiol Actions
用于皮肤或粘膜的局部麻醉