Home > Compound List > Compound details
15391-59-0(freebase) molecular structure
click picture or here to close

N-(12-imino-12H-10-oxa-5-azatetraphen-8-yl)acetamide hydrochloride

ChemBase ID: 158705
Molecular Formular: C18H14ClN3O2
Molecular Mass: 339.77566
Monoisotopic Mass: 339.07745438
SMILES and InChIs

SMILES:
CC(=O)Nc1ccc2c(c1)oc1cc(=N)c3ccccc3c1n2.Cl
Canonical SMILES:
CC(=O)Nc1ccc2c(c1)oc1c(n2)c2ccccc2c(=N)c1.Cl
InChI:
InChI=1S/C18H13N3O2.ClH/c1-10(22)20-11-6-7-15-16(8-11)23-17-9-14(19)12-4-2-3-5-13(12)18(17)21-15;/h2-9,19H,1H3,(H,20,22);1H
InChIKey:
CJHKAKZHZRBAGI-UHFFFAOYSA-N

Cite this record

CBID:158705 http://www.chembase.cn/molecule-158705.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(12-imino-12H-10-oxa-5-azatetraphen-8-yl)acetamide hydrochloride
IUPAC Traditional name
N-(12-imino-10-oxa-5-azatetraphen-8-yl)acetamide hydrochloride
Synonyms
Darrow Red
达罗红
CAS Number
15391-59-0(freebase)
MDL Number
MFCD00012672
PubChem SID
162252841
24852713
PubChem CID
10382589

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
211885 external link Add to cart Please log in.
Data Source Data ID
PubChem 10382589 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.963729  H Acceptors
H Donor LogD (pH = 5.5) -1.1479628 
LogD (pH = 7.4) -0.8767033  Log P 2.262664 
Molar Refractivity 102.4331 cm3 Polarizability 32.548088 Å3
Polar Surface Area 74.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Absorption Wavelength
λmax 502 nm expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Grade
certified by the Biological Stain Commission expand Show data source
Compostion
Dye content, ≥65% expand Show data source
Empirical Formula (Hill Notation)
C18H13N3O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 211885 external link
Packaging
25 g in glass bottle
Suitability
Certified for the staining of neuron cell bodies in paraffin or frozen sections of formalin fixed brain or spinal cord.

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