Home > Compound List > Compound details
857283-58-0 molecular structure
click picture or here to close

methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine

ChemBase ID: 91176
Molecular Formular: C10H13N3
Molecular Mass: 175.23032
Monoisotopic Mass: 175.11094743
SMILES and InChIs

SMILES:
n1c2n(cccc2)c(c1C)CNC
Canonical SMILES:
CNCc1c(C)nc2n1cccc2
InChI:
InChI=1S/C10H13N3/c1-8-9(7-11-2)13-6-4-3-5-10(13)12-8/h3-6,11H,7H2,1-2H3
InChIKey:
RDOSBGVNNQNNAV-UHFFFAOYSA-N

Cite this record

CBID:91176 http://www.chembase.cn/molecule-91176.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
IUPAC Traditional name
methyl({2-methylimidazo[1,2-a]pyridin-3-yl}methyl)amine
Synonyms
N-Methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]amine 97%
N-methyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanamine
CAS Number
857283-58-0
MDL Number
MFCD07772798
PubChem SID
162077880
PubChem CID
7157369

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 7157369 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9702475  LogD (pH = 7.4) -1.271402 
Log P 0.36926955  Molar Refractivity 53.6534 cm3
Polarizability 20.263819 Å3 Polar Surface Area 29.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Melting Point
73-75°C expand Show data source
Storage Warning
Corrosive expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle