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1346708-15-3 molecular structure
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2-(2-aminoethoxy)-4-chloropyridine

ChemBase ID: 246042
Molecular Formular: C7H9ClN2O
Molecular Mass: 172.61216
Monoisotopic Mass: 172.0403406
SMILES and InChIs

SMILES:
c1c(nccc1Cl)OCCN
Canonical SMILES:
NCCOc1cc(Cl)ccn1
InChI:
InChI=1S/C7H9ClN2O/c8-6-1-3-10-7(5-6)11-4-2-9/h1,3,5H,2,4,9H2
InChIKey:
LCIWEWNYGUFCHP-UHFFFAOYSA-N

Cite this record

CBID:246042 http://www.chembase.cn/molecule-246042.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-aminoethoxy)-4-chloropyridine
2-[(4-chloropyridin-2-yl)oxy]ethan-1-amine
IUPAC Traditional name
2-(2-aminoethoxy)-4-chloropyridine
2-[(4-chloropyridin-2-yl)oxy]ethanamine
Synonyms
2-(2-aminoethoxy)-4-chloropyridine
2-((4-Chloropyridin-2-yl)oxy)ethanaMine
CAS Number
1346708-15-3
MDL Number
MFCD19688768
PubChem SID
164301952
PubChem CID
71302213

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71302213 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.9618855  LogD (pH = 7.4) -0.854755 
Log P 0.9994205  Molar Refractivity 43.4324 cm3
Polarizability 17.21464 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.42 expand Show data source
Purity
95% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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