Home > Compound List > Compound details
460046-47-3 molecular structure
click picture or here to close

(furan-2-ylmethyl)(pyridin-3-ylmethyl)amine

ChemBase ID: 13169
Molecular Formular: C11H12N2O
Molecular Mass: 188.22578
Monoisotopic Mass: 188.09496301
SMILES and InChIs

SMILES:
c1cc(oc1)CNCc1cnccc1
Canonical SMILES:
c1ccc(cn1)CNCc1ccco1
InChI:
InChI=1S/C11H12N2O/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1-7,13H,8-9H2
InChIKey:
MZMZQNAMCDNTOE-UHFFFAOYSA-N

Cite this record

CBID:13169 http://www.chembase.cn/molecule-13169.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(furan-2-ylmethyl)(pyridin-3-ylmethyl)amine
IUPAC Traditional name
(furan-2-ylmethyl)(pyridin-3-ylmethyl)amine
Synonyms
Furan-2-ylmethyl-pyridin-3-ylmethyl-amine
1-(furan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
(2-furylmethyl)(pyridin-3-ylmethyl)amine
N-(2-furylmethyl)-N-(pyridin-3-ylmethyl)amine
CAS Number
460046-47-3
MDL Number
MFCD03001391
PubChem SID
160976476
PubChem CID
736510

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8562827  LogD (pH = 7.4) 0.76062804 
Log P 1.098642  Molar Refractivity 54.1526 cm3
Polarizability 21.090649 Å3 Polar Surface Area 38.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.347 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

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