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23314-24-1 molecular structure
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2-(2-aminoethoxy)naphthalene

ChemBase ID: 250647
Molecular Formular: C12H13NO
Molecular Mass: 187.23772
Monoisotopic Mass: 187.09971404
SMILES and InChIs

SMILES:
c12cc(ccc1cccc2)OCCN
Canonical SMILES:
NCCOc1ccc2c(c1)cccc2
InChI:
InChI=1S/C12H13NO/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,13H2
InChIKey:
NGOMYFUIWZJUET-UHFFFAOYSA-N

Cite this record

CBID:250647 http://www.chembase.cn/molecule-250647.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-aminoethoxy)naphthalene
IUPAC Traditional name
2-(2-aminoethoxy)naphthalene
Synonyms
2-(2-naphthyloxy)ethanamine
CAS Number
23314-24-1
MDL Number
MFCD02598963
PubChem SID
164306557
PubChem CID
2794245

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-15049 external link Add to cart Please log in.
Data Source Data ID
PubChem 2794245 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9535304  LogD (pH = 7.4) 0.15210791 
Log P 2.0080676  Molar Refractivity 56.9212 cm3
Polarizability 23.821844 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
29 - 31°C expand Show data source
Hydrophobicity(logP)
2.436 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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