91894-93-8 Purity
96%
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Specification
The molecular formula of tert-Butyl 4-(N-hydroxycarbamimidoyl)-phenylcarbamate is C12H17N3O3.
The synonyms of tert-Butyl 4-(N-hydroxycarbamimidoyl)-phenylcarbamate are 918967-52-9, TERT-BUTYL 4-(N-HYDROXYCARBAMIMIDOYL)-PHENYLCARBAMATE, tert-butyl N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbamate, tert-butyl N-{4-[(Z)-N'-hydroxycarbamimidoyl]phenyl}carbamate, and tert-butyl {4-[(Z)-amino(hydroxyimino)methyl]phenyl}carbamate.
The molecular weight of tert-Butyl 4-(N-hydroxycarbamimidoyl)-phenylcarbamate is 251.28 g/mol.
The IUPAC name of tert-Butyl 4-(N-hydroxycarbamimidoyl)-phenylcarbamate is tert-butyl N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]carbamate.
The InChI of tert-Butyl 4-(N-hydroxycarbamimidoyl)-phenylcarbamate is InChI=1S/C12H17N3O3/c1-12(2,3)18-11(16)14-9-6-4-8(5-7-9)10(13)15-17/h4-7,17H,1-3H3,(H2,13,15)(H,14,16).
The InChIKey of tert-Butyl 4-(N-hydroxycarbamimidoyl)-phenylcarbamate is CQYZAFAVERQILX-UHFFFAOYSA-N.
The canonical SMILES of tert-Butyl 4-(N-hydroxycarbamimidoyl)-phenylcarbamate is CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=NO)N.
The isomeric SMILES of tert-Butyl 4-(N-hydroxycarbamimidoyl)-phenylcarbamate is CC(C)(C)OC(=O)NC1=CC=C(C=C1)/C(=N/O)/N.
The XLogP3-AA value of tert-Butyl 4-(N-hydroxycarbamimidoyl)-phenylcarbamate is 1.6.
Yes, tert-Butyl 4-(N-hydroxycarbamimidoyl)-phenylcarbamate is a canonicalized compound.