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2-(4-Aminophenyl)ethyl tert-butyl hydrazine-1,2-dicarboxylate

HCID 58112115
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NNC(=O)OCCc1ccc(N)cc1
InChIKey
MYDOCNZDIWOUTN-UHFFFAOYSA-N
Molecular formula
C14H21N3O4
Average molar mass
295.33 g/mol

Names & identifiers

Preferred name
2-(4-Aminophenyl)ethyl tert-butyl hydrazine-1,2-dicarboxylate
IUPAC
tert-butyl N-[2-(4-aminophenyl)ethoxycarbonylamino]carbamate

Names & synonyms

SCHEMBL973836MYDOCNZDIWOUTN-UHFFFAOYSA-N2-(4-aminophenyl)ethyl tert-butyl hydrazine-1,2-dicarboxylate

Database identifiers

PubChem CID
58112115

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
103 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
Formal charge
0
Complexity
347

Related reactions

3 records
New reaction record
HRID 168004 reaction equation
HRID 168004As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1892490 reaction equation
HRID 1892490As productuspto-grants-2013_08
HRID 1892491 reaction equation
HRID 1892491As reactantuspto-grants-2013_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes