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1060801-82-2 molecular structure
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2-(3-methoxypyridin-4-yl)ethan-1-amine

ChemBase ID: 814966
Molecular Formular: C8H12N2O
Molecular Mass: 152.19368
Monoisotopic Mass: 152.09496301
SMILES and InChIs

SMILES:
C(Cc1c(cncc1)OC)N
Canonical SMILES:
NCCc1ccncc1OC
InChI:
InChI=1S/C8H12N2O/c1-11-8-6-10-5-3-7(8)2-4-9/h3,5-6H,2,4,9H2,1H3
InChIKey:
LUOUKBFLILUAIJ-UHFFFAOYSA-N

Cite this record

CBID:814966 http://www.chembase.cn/molecule-814966.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methoxypyridin-4-yl)ethan-1-amine
IUPAC Traditional name
2-(3-methoxypyridin-4-yl)ethanamine
Synonyms
2-(3-methoxypyridin-4-yl)ethanamine
CAS Number
1060801-82-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37208 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37208 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) -3.2156029  LogD (pH = 7.4) -2.187415 
Log P 0.012331764  Molar Refractivity 43.5927 cm3
Polarizability 17.077091 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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