Home > Compound List > Compound details
51581-40-9 molecular structure
click picture or here to close

pyridin-3-yl N,N-diethylcarbamate

ChemBase ID: 177183
Molecular Formular: C10H14N2O2
Molecular Mass: 194.23036
Monoisotopic Mass: 194.1055277
SMILES and InChIs

SMILES:
n1cccc(c1)OC(=O)N(CC)CC
Canonical SMILES:
CCN(C(=O)Oc1cccnc1)CC
InChI:
InChI=1S/C10H14N2O2/c1-3-12(4-2)10(13)14-9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
InChIKey:
CDZWVGRGLGHQIQ-UHFFFAOYSA-N

Cite this record

CBID:177183 http://www.chembase.cn/molecule-177183.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
pyridin-3-yl N,N-diethylcarbamate
IUPAC Traditional name
pyridin-3-yl N,N-diethylcarbamate
Synonyms
N,N-Diethylcarbamic Acid 3-Pyridinyl Ester
Pyridin-3-yl Diethylcarbamate
3-Pyridyl Diethylcarbamate
CAS Number
51581-40-9
PubChem SID
164233093
PubChem CID
1512662

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P992950 external link Add to cart
PubChem 1512662 external link
Data Source Data ID Price
TRC
P992950 external link Add to cart Please log in.
Data Source Data ID
PubChem 1512662 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Donor LogD (pH = 5.5) 1.1823152 
LogD (pH = 7.4) 1.1901557  Log P 1.1902568 
Molar Refractivity 53.0008 cm3 Polarizability 20.525734 Å3
Polar Surface Area 42.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Colourless Oil expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download 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