Home > Compound List > Compound details
147353-77-3 molecular structure
click picture or here to close

ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate

ChemBase ID: 40744
Molecular Formular: C13H14N2O2
Molecular Mass: 230.26246
Monoisotopic Mass: 230.1055277
SMILES and InChIs

SMILES:
c1(c(c[nH]c1N)c1ccccc1)C(=O)OCC
Canonical SMILES:
CCOC(=O)c1c(N)[nH]cc1c1ccccc1
InChI:
InChI=1S/C13H14N2O2/c1-2-17-13(16)11-10(8-15-12(11)14)9-6-4-3-5-7-9/h3-8,15H,2,14H2,1H3
InChIKey:
YRZHKCQCHAZCNB-UHFFFAOYSA-N

Cite this record

CBID:40744 http://www.chembase.cn/molecule-40744.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
IUPAC Traditional name
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
Synonyms
Ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
CAS Number
147353-77-3
MDL Number
MFCD00171776
PubChem SID
162045507
PubChem CID
2763622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2763622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.831607  H Acceptors
H Donor LogD (pH = 5.5) 2.971003 
LogD (pH = 7.4) 2.971005  Log P 2.9710052 
Molar Refractivity 66.6806 cm3 Polarizability 26.400057 Å3
Polar Surface Area 68.11 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
157 - 158 °C expand Show data source
157-158°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% 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