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165736-20-9 molecular structure
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imidazo[1,2-a]pyridin-2-ylmethanamine hydrobromide

ChemBase ID: 230678
Molecular Formular: C8H10BrN3
Molecular Mass: 228.0891
Monoisotopic Mass: 227.00580934
SMILES and InChIs

SMILES:
n1c2n(cc1CN)cccc2.Br
Canonical SMILES:
NCc1nc2n(c1)cccc2.Br
InChI:
InChI=1S/C8H9N3.BrH/c9-5-7-6-11-4-2-1-3-8(11)10-7;/h1-4,6H,5,9H2;1H
InChIKey:
UTDJGHSBRMAARG-UHFFFAOYSA-N

Cite this record

CBID:230678 http://www.chembase.cn/molecule-230678.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
imidazo[1,2-a]pyridin-2-ylmethanamine hydrobromide
IUPAC Traditional name
imidazo[1,2-a]pyridin-2-ylmethanamine hydrobromide
Synonyms
1-imidazo[1,2-a]pyridin-2-ylmethanamine hydrobromide
CAS Number
165736-20-9
MDL Number
MFCD06671761
PubChem SID
164286588
PubChem CID
20847988

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-04019 external link Add to cart Please log in.
Data Source Data ID
PubChem 20847988 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.8055897  LogD (pH = 7.4) -1.2443535 
Log P -0.033210248  Molar Refractivity 43.8876 cm3
Polarizability 16.652065 Å3 Polar Surface Area 43.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
82 - 84°C expand Show data source
Hydrophobicity(logP)
0.158 expand Show data source
Purity
95% expand Show data source
Salt Data
HBr expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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