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1060805-41-5 molecular structure
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3-(4-methoxypyridin-2-yl)propan-1-amine

ChemBase ID: 815108
Molecular Formular: C9H14N2O
Molecular Mass: 166.22026
Monoisotopic Mass: 166.11061308
SMILES and InChIs

SMILES:
C(CCc1nccc(c1)OC)N
Canonical SMILES:
COc1cc(CCCN)ncc1
InChI:
InChI=1S/C9H14N2O/c1-12-9-4-6-11-8(7-9)3-2-5-10/h4,6-7H,2-3,5,10H2,1H3
InChIKey:
LCGDTCDIGSIGER-UHFFFAOYSA-N

Cite this record

CBID:815108 http://www.chembase.cn/molecule-815108.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-methoxypyridin-2-yl)propan-1-amine
IUPAC Traditional name
3-(4-methoxypyridin-2-yl)propan-1-amine
Synonyms
3-(4-methoxypyridin-2-yl)propan-1-amine
CAS Number
1060805-41-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37362 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37362 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) -2.967336  LogD (pH = 7.4) -2.1705635 
Log P 0.3308164  Molar Refractivity 47.7699 cm3
Polarizability 18.918291 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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