4-[2-(dipropylamino)ethyl]benzene-1,2-diol hydrobromide

• ChemBase ID: 131760
• Molecular Formular: C14H24BrNO2
• Molecular Mass: 318.24986
• Monoisotopic Mass: 317.09904101
• SMILES: CCCN(CCC)CCc1ccc(c(c1)O)O.Br
• Canonical SMILES: CCCN(CCc1ccc(c(c1)O)O)CCC.Br
• InChI: InChI=1S/C14H23NO2.BrH/c1-3-8-15(9-4-2)10-7-12-5-6-13(16)14(17)11-12;/h5-6,11,16-17H,3-4,7-10H2,1-2H3;1H
• InChIKey: QAXMCYJNFHCJFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(dipropylamino)ethyl]benzene-1,2-diol hydrobromide
• IUPAC Traditional name: 4-[2-(dipropylamino)ethyl]benzene-1,2-diol hydrobromide
• Synonyms: N,N-Dipropyldopamine hydrobromide; N,N-二丙基多巴胺 氢溴酸盐

Database IDs

• CAS Number: 65273-66-7
• MDL Number: MFCD00069242
• PubChem SID: 162226037
• PubChem CID: 11957536

CALCULATED PROPERTIES

• Acid pKa: 9.234589
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.113109544
• LogD (pH = 7.4): 0.71493775
• Log P: 2.3202066
• Molar Refractivity: 71.8627 cm^3
• Polarizability: 27.722868 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: aqueous base: unstable; ethanol: soluble (Solutions should be freshly prepared and kept at 4 °C.); oxygen-free water containing 0.1% sodium metabisulfite or other antioxidant: soluble (Solutions should be freshly prepared and kept at 4 °C.)
• Apperance: white

Safety Information

• RTECS: RB5962000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: human ... DRD1(1812), DRD2(1813), DRD3(1814), DRD4(1815), DRD5(1816)

DETAILS

Sigma Aldrich - D031

Biochem/physiol Actions
多巴胺受体激动剂。
Caution
感光性
包装
在氩气下包装。