Home > Compound List > Compound details
86-20-4 molecular structure
click picture or here to close

9-ethyl-3-nitro-9H-carbazole

ChemBase ID: 146898
Molecular Formular: C14H12N2O2
Molecular Mass: 240.25728
Monoisotopic Mass: 240.08987763
SMILES and InChIs

SMILES:
CCn1c2ccccc2c2c1ccc(c2)[N+](=O)[O-]
Canonical SMILES:
CCn1c2ccc(cc2c2c1cccc2)[N+](=O)[O-]
InChI:
InChI=1S/C14H12N2O2/c1-2-15-13-6-4-3-5-11(13)12-9-10(16(17)18)7-8-14(12)15/h3-9H,2H2,1H3
InChIKey:
WONHLSYSHMRRGO-UHFFFAOYSA-N

Cite this record

CBID:146898 http://www.chembase.cn/molecule-146898.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-ethyl-3-nitro-9H-carbazole
IUPAC Traditional name
9-ethyl-3-nitrocarbazole
Synonyms
9-Ethyl-3-nitrocarbazole
9-ethyl-3-nitrocarbazole
3-硝基-N-乙基咔唑
CAS Number
86-20-4
EC Number
201-655-7
MDL Number
MFCD00022215
PubChem SID
162241090
24879353
PubChem CID
66573

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 66573 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6113539  LogD (pH = 7.4) 3.6113539 
Log P 3.6113539  Molar Refractivity 69.438 cm3
Polarizability 28.543356 Å3 Polar Surface Area 48.07 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
128-130 °C(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
98% expand Show data source
Empirical Formula (Hill Notation)
C14H12N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 553778 external link
Packaging
25 g in glass bottle

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