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65273-66-7 molecular structure
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4-[2-(dipropylamino)ethyl]benzene-1,2-diol hydrobromide

ChemBase ID: 131760
Molecular Formular: C14H24BrNO2
Molecular Mass: 318.24986
Monoisotopic Mass: 317.09904101
SMILES and InChIs

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

Cite this record

CBID:131760 http://www.chembase.cn/molecule-131760.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
65273-66-7
MDL Number
MFCD00069242
PubChem SID
162226037
PubChem CID
11957536

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
D031 external link Add to cart Please log in.
Data Source Data ID
PubChem 11957536 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.234589  H Acceptors
H Donor LogD (pH = 5.5) -0.113109544 
LogD (pH = 7.4) 0.71493775  Log P 2.3202066 
Molar Refractivity 71.8627 cm3 Polarizability 27.722868 Å3
Polar Surface Area 43.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Bioassay(PubChem)
Solubility
aqueous base: unstable expand Show data source
ethanol: soluble (Solutions should be freshly prepared and kept at 4 °C.) expand Show data source
oxygen-free water containing 0.1% sodium metabisulfite or other antioxidant: soluble (Solutions should be freshly prepared and kept at 4 °C.) expand Show data source
Apperance
white expand Show data source
RTECS
RB5962000 expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
human ... DRD1(1812), DRD2(1813), DRD3(1814), DRD4(1815), DRD5(1816) expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D031 external link
Biochem/physiol Actions
多巴胺受体激动剂。
Caution
感光性
包装
在氩气下包装。

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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