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26583-55-1 molecular structure
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1-(2-aminoethoxy)-4-bromobenzene

ChemBase ID: 308487
Molecular Formular: C8H10BrNO
Molecular Mass: 216.0751
Monoisotopic Mass: 214.99457595
SMILES and InChIs

SMILES:
c1(Br)ccc(cc1)OCCN
Canonical SMILES:
NCCOc1ccc(cc1)Br
InChI:
InChI=1S/C8H10BrNO/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2
InChIKey:
AIHSYDQJCKBJHB-UHFFFAOYSA-N

Cite this record

CBID:308487 http://www.chembase.cn/molecule-308487.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-aminoethoxy)-4-bromobenzene
IUPAC Traditional name
1-(2-aminoethoxy)-4-bromobenzene
Synonyms
2-(4-bromophenoxy)ethanamine
CAS Number
26583-55-1
MDL Number
MFCD09064752

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.1742545  LogD (pH = 7.4) -0.068616316 
Log P 1.7873434  Molar Refractivity 48.0938 cm3
Polarizability 18.991163 Å3 Polar Surface Area 35.25 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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