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880361-80-8 molecular structure
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{5-methylimidazo[1,2-a]pyridin-2-yl}methanamine

ChemBase ID: 37180
Molecular Formular: C9H11N3
Molecular Mass: 161.20374
Monoisotopic Mass: 161.09529737
SMILES and InChIs

SMILES:
c1c(n2c(cc1)nc(c2)CN)C
Canonical SMILES:
NCc1cn2c(n1)cccc2C
InChI:
InChI=1S/C9H11N3/c1-7-3-2-4-9-11-8(5-10)6-12(7)9/h2-4,6H,5,10H2,1H3
InChIKey:
FLWNBGDEYAEUQS-UHFFFAOYSA-N

Cite this record

CBID:37180 http://www.chembase.cn/molecule-37180.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{5-methylimidazo[1,2-a]pyridin-2-yl}methanamine
IUPAC Traditional name
{5-methylimidazo[1,2-a]pyridin-2-yl}methanamine
Synonyms
1-(5-methylimidazo[1,2-a]pyridin-2-yl)methanamine
[(5-Methylimidazo[1,2-a]pyridin-2-yl)methyl]amine
{5-methylimidazo[1,2-a]pyridin-2-yl}methanamine
CAS Number
880361-80-8
MDL Number
MFCD08669763
PubChem SID
161000487
PubChem CID
25220476

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25220476 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6087763  LogD (pH = 7.4) -1.04749 
Log P 0.16635108  Molar Refractivity 49.0373 cm3
Polarizability 18.41777 Å3 Polar Surface Area 43.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.857 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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