Diethyl 4-aminobenzene-1,2-dicarboxylate

HCID 237992

Notes Reactions

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Basic information

CAS: 22572-84-5
Standard SMILES: CCOC(=O)c1ccc(N)cc1C(=O)OCC
InChIKey: MPCAOTRSCWFYIJ-UHFFFAOYSA-N
Molecular formula: C12H15NO4
Average molar mass: 237.25 g/mol
Monoisotopic mass: 237.10010796

Names & identifiers

Preferred name: Diethyl 4-aminobenzene-1,2-dicarboxylate
IUPAC: diethyl 4-aminobenzene-1,2-dicarboxylate
English name: diethyl 4-aminobenzene-1,2-dicarboxylate
Molecular formula: C12H15NO4
Molecular weight: 0

Names & synonyms

diethyl 4-aminophthalatediethyl 4-aminobenzene-1,2-dicarboxylate22572-84-54-Aminophthalic acid, diethyl esterSCHEMBL2888716DTXSID00285512NSC42098NSC-42098AKOS005216107

Database identifiers

CAS: 22572-84-5
PubChem CID: 237992
DTXSID: DTXSID00285512
Nikkaji: J2.996.035F

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 78.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 280

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers2 total

深圳市创鑫生物科技有限公司13417589054 · [email protected]

Related reactions

3 records

New reaction record

HRID 810842As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1655950As reactantuspto-grants-1993_10

HRID 2184629As productuspto-grants-2002_06

Compound notes

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