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26646-31-1 molecular structure
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2-(2-aminoethoxy)-1-chloro-3-methylbenzene

ChemBase ID: 312633
Molecular Formular: C9H12ClNO
Molecular Mass: 185.65068
Monoisotopic Mass: 185.06074169
SMILES and InChIs

SMILES:
c1(c(Cl)cccc1C)OCCN
Canonical SMILES:
NCCOc1c(C)cccc1Cl
InChI:
InChI=1S/C9H12ClNO/c1-7-3-2-4-8(10)9(7)12-6-5-11/h2-4H,5-6,11H2,1H3
InChIKey:
XQTNIUIUXWUNOP-UHFFFAOYSA-N

Cite this record

CBID:312633 http://www.chembase.cn/molecule-312633.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-aminoethoxy)-1-chloro-3-methylbenzene
IUPAC Traditional name
2-(2-aminoethoxy)-1-chloro-3-methylbenzene
Synonyms
2-(2-chloro-6-methylphenoxy)ethanamine
CAS Number
26646-31-1
MDL Number
MFCD08691985

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8255345  LogD (pH = 7.4) 0.28013682 
Log P 2.136057  Molar Refractivity 50.317 cm3
Polarizability 19.86134 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

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