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N-Ethyl-2-(furan-2-yl)-2-hydroxyethanimidic acid

HCID 44778
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Basic information

CAS
63833-90-9
Standard SMILES
CCNC(=O)C(O)c1ccco1
InChIKey
IKWNXBMYMBMNKP-UHFFFAOYSA-N
Molecular formula
C8H11NO3
Average molar mass
169.18 g/mol
Monoisotopic mass
169.07389321

Names & identifiers

Preferred name
N-Ethyl-2-(furan-2-yl)-2-hydroxyethanimidic acid
IUPAC
N-ethyl-2-(furan-2-yl)-2-hydroxyacetamide
English name
2(N-ETHYLCARBAMOYLHYDROXYMETHYL)FURAN
Molecular formula
C8H11NO3
Molecular weight
169.18

Names & synonyms

63833-90-9DTXSID00980414N-Ethyl-2-(furan-2-yl)-2-hydroxyethanimidic acidRefChem:1091746DTXCID8014076912-(N-Ethylcarbamoylhydroxymethyl)furanFURFURYL ALCOHOL, alpha-(N-ETHYLCARBAMOYL)-Furan, 2-(N-ethylcarbamoylhydroxymethyl)-2-Furanmethanol, alpha-(N-ethylcarbamoyl)-SCHEMBL3342050IKWNXBMYMBMNKP-UHFFFAOYSA-NAKOS006278740
Show more names
N-Ethyl-α-hydroxyfuran-2-acetamide2-Furanacetamide, N-ethyl-α-hydroxy-2(N-ETHYLCARBAMOYLHYDROXYMETHYL)FURAN
2-(N-ethylcarbamoylhydroxymethyl)-furanN-Ethyl(furan-2-yl)(hydroxy)ethanimidic acid

Database identifiers

CAS
63833-90-9
PubChem CID
44778
DTXSID
DTXSID00980414
Nikkaji
J75.532J

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
62.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
Formal charge
0
Complexity
160

Physicochemical properties

Boiling point
298.46 °C · 298.46°C (rough estimate)
Density
1.2435 · 1.2435 (rough estimate)
refractive index
1.51 · 1.5100 (estimate)
pka
12.43 · 12.43±0.20(Predicted)

Related reactions

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Compound notes

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