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625410-03-9 molecular structure
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[2-(ethenyloxy)ethyl][2-(pyridin-2-yl)ethyl]amine

ChemBase ID: 12685
Molecular Formular: C11H16N2O
Molecular Mass: 192.25754
Monoisotopic Mass: 192.12626314
SMILES and InChIs

SMILES:
c1cnc(cc1)CCNCCOC=C
Canonical SMILES:
C=COCCNCCc1ccccn1
InChI:
InChI=1S/C11H16N2O/c1-2-14-10-9-12-8-6-11-5-3-4-7-13-11/h2-5,7,12H,1,6,8-10H2
InChIKey:
ZEGNVUVSGCGHFD-UHFFFAOYSA-N

Cite this record

CBID:12685 http://www.chembase.cn/molecule-12685.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[2-(ethenyloxy)ethyl][2-(pyridin-2-yl)ethyl]amine
IUPAC Traditional name
[2-(ethenyloxy)ethyl][2-(pyridin-2-yl)ethyl]amine
Synonyms
(2-Pyridin-2-yl-ethyl)-(2-vinyloxy-ethyl)-amine
CAS Number
625410-03-9
MDL Number
MFCD02824255
PubChem SID
160975992
PubChem CID
3822228

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 3822228 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.0360217  LogD (pH = 7.4) -0.7115338 
Log P 1.0901058  Molar Refractivity 56.062 cm3
Polarizability 22.385748 Å3 Polar Surface Area 34.15 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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