Home > Compound List > Compound details
94318-82-8 molecular structure
click picture or here to close

2-bromo-N-cyclohexylpropanamide

ChemBase ID: 307839
Molecular Formular: C9H16BrNO
Molecular Mass: 234.13344
Monoisotopic Mass: 233.04152614
SMILES and InChIs

SMILES:
C(=O)(NC1CCCCC1)C(Br)C
Canonical SMILES:
CC(C(=O)NC1CCCCC1)Br
InChI:
InChI=1S/C9H16BrNO/c1-7(10)9(12)11-8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,11,12)
InChIKey:
DFYATVAAOOEQOX-UHFFFAOYSA-N

Cite this record

CBID:307839 http://www.chembase.cn/molecule-307839.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-N-cyclohexylpropanamide
IUPAC Traditional name
2-bromo-N-cyclohexylpropanamide
Synonyms
2-bromo-N-cyclohexylpropanamide
CAS Number
94318-82-8
MDL Number
MFCD08669986

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4024589 external link Add to cart
Data Source Data ID Price
ChemBridge
4024589 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) 2.2842615  LogD (pH = 7.4) 2.2842612 
Log P 2.2842617  Molar Refractivity 52.6074 cm3
Polarizability 20.53734 Å3 Polar Surface Area 29.1 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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