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1060806-99-6 molecular structure
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1-(2-methoxypyridin-4-yl)cyclopropan-1-amine

ChemBase ID: 814769
Molecular Formular: C9H12N2O
Molecular Mass: 164.20438
Monoisotopic Mass: 164.09496301
SMILES and InChIs

SMILES:
C1(CC1)(N)c1cc(ncc1)OC
Canonical SMILES:
COc1nccc(c1)C1(N)CC1
InChI:
InChI=1S/C9H12N2O/c1-12-8-6-7(2-5-11-8)9(10)3-4-9/h2,5-6H,3-4,10H2,1H3
InChIKey:
MSLFJTYXBSUGCV-UHFFFAOYSA-N

Cite this record

CBID:814769 http://www.chembase.cn/molecule-814769.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-methoxypyridin-4-yl)cyclopropan-1-amine
IUPAC Traditional name
1-(2-methoxypyridin-4-yl)cyclopropan-1-amine
Synonyms
1-(2-methoxypyridin-4-yl)cyclopropanamine
CAS Number
1060806-99-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O36999 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O36999 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) -2.2576833  LogD (pH = 7.4) -1.1704199 
Log P 0.70746136  Molar Refractivity 46.252 cm3
Polarizability 18.266157 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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