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28036-33-1 molecular structure
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imidazo[1,2-a]pyridin-3-amine

ChemBase ID: 141299
Molecular Formular: C7H7N3
Molecular Mass: 133.15058
Monoisotopic Mass: 133.06399724
SMILES and InChIs

SMILES:
c1ccn2c(c1)ncc2N
Canonical SMILES:
Nc1cnc2n1cccc2
InChI:
InChI=1S/C7H7N3/c8-6-5-9-7-3-1-2-4-10(6)7/h1-5H,8H2
InChIKey:
RTOFMMILZZGGNS-UHFFFAOYSA-N

Cite this record

CBID:141299 http://www.chembase.cn/molecule-141299.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-a]pyridin-3-amine
IUPAC Traditional name
imidazo[1,2-a]pyridin-3-amine
Synonyms
Imidazo[1,2-a]pyridin-3-amine
3-Amino-imidazo[1,2-a]pyridine
3-Aminoimidazo[1,2-a]pyridine
3-氨基咪唑并[1,2-a]吡啶
CAS Number
28036-33-1
MDL Number
MFCD06660421
PubChem SID
162235533
PubChem CID
432221

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 432221 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0371867  LogD (pH = 7.4) -0.5140134 
Log P 0.01991448  Molar Refractivity 39.8901 cm3
Polarizability 14.415065 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)
Melting Point
114-126 °C expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C7H7N3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 685755 external link
Packaging
250 mg in glass bottle
Toronto Research Chemicals - A611725 external link
Intermediate in the production of mutagenic pyrolyzates.

REFERENCES

REFERENCES

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  • • Grassy, G., et al.: Eur. J. Med. Chem., 17, 109 (1982)
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PATENTS

PATENTS

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INTERNET

INTERNET

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