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10541-82-9 molecular structure
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ethyl 4-(methylamino)benzoate

ChemBase ID: 173251
Molecular Formular: C10H13NO2
Molecular Mass: 179.21572
Monoisotopic Mass: 179.09462866
SMILES and InChIs

SMILES:
c1c(ccc(c1)C(=O)OCC)NC
Canonical SMILES:
CCOC(=O)c1ccc(cc1)NC
InChI:
InChI=1S/C10H13NO2/c1-3-13-10(12)8-4-6-9(11-2)7-5-8/h4-7,11H,3H2,1-2H3
InChIKey:
VHTKEUCWOHEYLB-UHFFFAOYSA-N

Cite this record

CBID:173251 http://www.chembase.cn/molecule-173251.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 4-(methylamino)benzoate
IUPAC Traditional name
ethyl 4-(methylamino)benzoate
Synonyms
4-Ethoxycarbonyl-N-methylaniline
Ethyl 4-(Methylamino)benzoate
Ethyl p-(Methylamino)benzoate
NSC 265435
4-(Methylamino)benzoic Acid Ethyl Ester
CAS Number
10541-82-9
PubChem SID
164229161
PubChem CID
319832

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M285670 external link Add to cart
PubChem 319832 external link
Data Source Data ID Price
TRC
M285670 external link Add to cart Please log in.
Data Source Data ID
PubChem 319832 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8044461  LogD (pH = 7.4) 1.8062854 
Log P 1.8063089  Molar Refractivity 53.0257 cm3
Polarizability 19.567814 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Apperance
Brown Solid expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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