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579515-25-6 molecular structure
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1-(6-methoxypyridin-3-yl)ethan-1-amine

ChemBase ID: 814787
Molecular Formular: C8H12N2O
Molecular Mass: 152.19368
Monoisotopic Mass: 152.09496301
SMILES and InChIs

SMILES:
C(C)(N)c1cnc(cc1)OC
Canonical SMILES:
COc1ccc(cn1)C(N)C
InChI:
InChI=1S/C8H12N2O/c1-6(9)7-3-4-8(11-2)10-5-7/h3-6H,9H2,1-2H3
InChIKey:
QZCQDZMQHCBXQU-UHFFFAOYSA-N

Cite this record

CBID:814787 http://www.chembase.cn/molecule-814787.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(6-methoxypyridin-3-yl)ethan-1-amine
IUPAC Traditional name
1-(6-methoxypyridin-3-yl)ethanamine
Synonyms
1-(6-methoxypyridin-3-yl)ethanamine
CAS Number
579515-25-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37017 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37017 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2429748  LogD (pH = 7.4) -1.2297864 
Log P 0.7347031  Molar Refractivity 43.57 cm3
Polarizability 17.154444 Å3 Polar Surface Area 48.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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