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2216-92-4 molecular structure
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ethyl 2-(phenylamino)acetate

ChemBase ID: 295804
Molecular Formular: C10H13NO2
Molecular Mass: 179.21572
Monoisotopic Mass: 179.09462866
SMILES and InChIs

SMILES:
CCOC(=O)CNc1ccccc1
Canonical SMILES:
CCOC(=O)CNc1ccccc1
InChI:
InChI=1S/C10H13NO2/c1-2-13-10(12)8-11-9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3
InChIKey:
MLSGRWDEDYJNER-UHFFFAOYSA-N

Cite this record

CBID:295804 http://www.chembase.cn/molecule-295804.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 2-(phenylamino)acetate
IUPAC Traditional name
ethyl 2-(phenylamino)acetate
Synonyms
N-Phenylglycine ethyl ester
N-苯基甘氨酸乙酯
CAS Number
2216-92-4
EC Number
218-702-2
MDL Number
MFCD00038315
Merck Index
147292
PubChem SID
180681335
PubChem CID
75190

DATA SOURCES

DATA SOURCES

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Alfa Aesar
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Data Source Data ID
PubChem 75190 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.422216  H Acceptors
H Donor LogD (pH = 5.5) 1.4265659 
LogD (pH = 7.4) 1.4267075  Log P 1.4267093 
Molar Refractivity 51.8541 cm3 Polarizability 19.598146 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)
Melting Point
55-58°C expand Show data source
TSCA Listed
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Purity
99% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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