Home > Compound List > Compound details
327058-58-2 molecular structure
click picture or here to close

4-bromo-N,N-dicyclohexylbenzamide

ChemBase ID: 300203
Molecular Formular: C19H26BrNO
Molecular Mass: 364.31984
Monoisotopic Mass: 363.11977646
SMILES and InChIs

SMILES:
c1cc(ccc1C(=O)N(C1CCCCC1)C1CCCCC1)Br
Canonical SMILES:
O=C(c1ccc(cc1)Br)N(C1CCCCC1)C1CCCCC1
InChI:
InChI=1S/C19H26BrNO/c20-16-13-11-15(12-14-16)19(22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10H2
InChIKey:
CFPQPOGTCPLGSE-UHFFFAOYSA-N

Cite this record

CBID:300203 http://www.chembase.cn/molecule-300203.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-bromo-N,N-dicyclohexylbenzamide
IUPAC Traditional name
4-bromo-N,N-dicyclohexylbenzamide
Synonyms
4-Bromo-N,N-dicyclohexylbenzamide
CAS Number
327058-58-2
MDL Number
MFCD00585206

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar H58734 external link Add to cart
Data Source Data ID Price
Alfa Aesar
H58734 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.6385317  LogD (pH = 7.4) 5.638532 
Log P 5.638532  Molar Refractivity 94.581 cm3
Polarizability 36.49467 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501 expand Show data source
Purity
97% 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