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64436-92-6 molecular structure
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5-methoxypyridin-3-amine

ChemBase ID: 52698
Molecular Formular: C6H8N2O
Molecular Mass: 124.14052
Monoisotopic Mass: 124.06366289
SMILES and InChIs

SMILES:
c1(cncc(c1)N)OC
Canonical SMILES:
COc1cc(N)cnc1
InChI:
InChI=1S/C6H8N2O/c1-9-6-2-5(7)3-8-4-6/h2-4H,7H2,1H3
InChIKey:
CTQPCFFQBYXOAJ-UHFFFAOYSA-N

Cite this record

CBID:52698 http://www.chembase.cn/molecule-52698.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methoxypyridin-3-amine
IUPAC Traditional name
5-methoxypyridin-3-amine
Synonyms
5-Methoxypyridin-3-amine
3-Amino-5-methoxypyridine
CAS Number
64436-92-6
MDL Number
MFCD09701369
PubChem SID
162057461
PubChem CID
12703595

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.42810103  LogD (pH = 7.4) -0.23437044 
Log P -0.23102383  Molar Refractivity 35.0647 cm3
Polarizability 13.092204 Å3 Polar Surface Area 48.14 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
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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