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1060806-95-2 molecular structure
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[(2-methoxypyridin-4-yl)methyl](methyl)amine

ChemBase ID: 814767
Molecular Formular: C8H12N2O
Molecular Mass: 152.19368
Monoisotopic Mass: 152.09496301
SMILES and InChIs

SMILES:
C(NC)c1cc(ncc1)OC
Canonical SMILES:
CNCc1ccnc(c1)OC
InChI:
InChI=1S/C8H12N2O/c1-9-6-7-3-4-10-8(5-7)11-2/h3-5,9H,6H2,1-2H3
InChIKey:
BMFZKBUDQUCZNE-UHFFFAOYSA-N

Cite this record

CBID:814767 http://www.chembase.cn/molecule-814767.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2-methoxypyridin-4-yl)methyl](methyl)amine
IUPAC Traditional name
[(2-methoxypyridin-4-yl)methyl](methyl)amine
Synonyms
1-(2-methoxypyridin-4-yl)-N-methylmethanamine
CAS Number
1060806-95-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36996 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36996 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) -2.3557608  LogD (pH = 7.4) -1.0196118 
Log P 0.75070846  Molar Refractivity 43.9258 cm3
Polarizability 17.154573 Å3 Polar Surface Area 34.15 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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