1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride

• ChemBase ID: 73287
• Molecular Formular: C18H28ClNO2
• Molecular Mass: 325.87342
• Monoisotopic Mass: 325.18085682
• SMILES: c1c(ccc(c1)C(=O)CCN1CCCCC1)OCCCC.Cl
• Canonical SMILES: CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1.Cl
• InChI: InChI=1S/C18H27NO2.ClH/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19;/h7-10H,2-6,11-15H2,1H3;1H
• InChIKey: KNZADIMHVBBPOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-butoxyphenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride
• IUPAC Traditional name: dyclonine hydrochloride
• Synonyms: Dyclonine hydrochloride; Dyclonine hydrochloride; 1-[4-Butoxyphenyl]-3-[1-piperidinyl]-1-propanone; 1-(4-丁氧基苯)-3-(1-呱啶基)-1-丙酮; 达克罗宁 盐酸盐

Database IDs

• CAS Number: 536-43-6
• EC Number: 208-633-6
• MDL Number: MFCD00035386
• PubChem SID: 162038207; 24894136
• PubChem CID: 68304

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9010787
• LogD (pH = 7.4): 2.6680264
• Log P: 3.6759984
• Molar Refractivity: 87.068 cm^3
• Polarizability: 33.962772 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true
• Acid pKa: 15.88437

PROPERTIES

Physical Property

• Melting Point: 174-176°C

Safety Information

• Storage Condition: -20°C; Room Temperature (15-30°C), Protect from light
• RTECS: UG8750000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H318-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Salt Data: hydrochloride

DETAILS

MP Biomedicals - 02190194

Hydrochloride
Crystalline

Selleck Chemicals - S2041

Research Area: Infection
Biological Activity:

Sigma Aldrich - D7512

Biochem/physiol Actions
经皮肤吸收，快速起效的局部麻醉剂