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1228666-53-2 molecular structure
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2-(dimethoxymethyl)-5-methoxy-1,8-naphthyridine

ChemBase ID: 51652
Molecular Formular: C12H14N2O3
Molecular Mass: 234.25116
Monoisotopic Mass: 234.10044232
SMILES and InChIs

SMILES:
c1cnc2c(c1OC)ccc(n2)C(OC)OC
Canonical SMILES:
COC(c1ccc2c(n1)nccc2OC)OC
InChI:
InChI=1S/C12H14N2O3/c1-15-10-6-7-13-11-8(10)4-5-9(14-11)12(16-2)17-3/h4-7,12H,1-3H3
InChIKey:
WEHZBTFPFYOFNM-UHFFFAOYSA-N

Cite this record

CBID:51652 http://www.chembase.cn/molecule-51652.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethoxymethyl)-5-methoxy-1,8-naphthyridine
IUPAC Traditional name
2-(dimethoxymethyl)-5-methoxy-1,8-naphthyridine
Synonyms
2-(Dimethoxymethyl)-5-methoxy-1,8-naphthyridine
2-(Dimethoxymethyl)-5-methoxy-1,8-naphthyridine
CAS Number
1228666-53-2
MDL Number
MFCD16628241
PubChem SID
162056415
PubChem CID
49761604

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3921126  LogD (pH = 7.4) 1.3921957 
Log P 1.3921968  Molar Refractivity 62.8529 cm3
Polarizability 24.799196 Å3 Polar Surface Area 53.47 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
97% expand Show data source
Empirical Formula (Hill Notation)
C12H14N2O3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000858 external link
Other Notes
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Legal Information
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REFERENCES

REFERENCES

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PATENTS

PATENTS

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