Ismine; N-Formyl 

AlkaPlorer ID: AK061100

Synonym: N-Formylismine 

IUPAC Name: N-[2-[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]phenyl]-N-methylformamide

Structure

SMILES: CN(C=O)C1=CC=CC=C1C1=CC2=C(C=C1CO)OCO2

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InChI: InChI=1S/C16H15NO4/c1-17(9-19)14-5-3-2-4-12(14)13-7-16-15(20-10-21-16)6-11(13)8-18/h2-7,9,18H,8,10H2,1H3

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InChIKey: MPGVLMVPTLCKJN-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 285.299

TPSA: 59.000000000000014

MolLogP: 2.1672

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information