Home > Compound List > Compound details
63874-25-9 molecular structure
click picture or here to close

[ethoxy(2-propoxyphenyl)methylidene]azanium; tetrafluoroboranuide

ChemBase ID: 168634
Molecular Formular: C12H18BF4NO2
Molecular Mass: 295.0814328
Monoisotopic Mass: 295.1366721
SMILES and InChIs

SMILES:
c1ccc(c(c1)C(=[NH2+])OCC)OCCC.[B-](F)(F)(F)F
Canonical SMILES:
F[B-](F)(F)F.CCCOc1ccccc1C(=[NH2+])OCC
InChI:
InChI=1S/C12H17NO2.BF4/c1-3-9-15-11-8-6-5-7-10(11)12(13)14-4-2;2-1(3,4)5/h5-8,13H,3-4,9H2,1-2H3;/q;-1/p+1
InChIKey:
TWYRRTWBSBZPGW-UHFFFAOYSA-O

Cite this record

CBID:168634 http://www.chembase.cn/molecule-168634.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[ethoxy(2-propoxyphenyl)methylidene]azanium; tetrafluoroboranuide
IUPAC Traditional name
[ethoxy(2-propoxyphenyl)methylidene]azanium tetrafluoroborate
Synonyms
2-Propoxy-benzenecarboximidic Acid Ethyl Ester Tetrafluoroborate
Ethyl (2-Propoxy)benzimidate Hydrotetrafluoroboride
CAS Number
63874-25-9
PubChem SID
162262766
PubChem CID
71316622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC E925490 external link Add to cart
PubChem 71316622 external link
Data Source Data ID Price
TRC
E925490 external link Add to cart Please log in.
Data Source Data ID
PubChem 71316622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.042514  LogD (pH = 7.4) 2.9888926 
Log P 3.0347846  Molar Refractivity 72.1086 cm3
Polarizability 23.735575 Å3 Polar Surface Area 44.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
White Needles expand Show data source
Melting Point
106-108°C 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