1,3-Dimethyl-8-nitro-3,9-dihydro-purine-2,6-dione

CAS

2099-73-2

Catalog Number

ACM2099732

Category

Other Products

Molecular Weight

225.161580 [g/mol]

Molecular Formula

C₇H₇N₅O₄

MSDS COA Spec Sheet

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Specification

Synonyms

2099-73-2, 1,3-Dimethyl-8-nitro-3,7-dihydro-1H-purine-2,6-dione, 1,3-Dimethyl-8-nitro-1H-purine-2,6(3H,9H)-dione, CHEMBL10987, T5889070, 8-Nitrotheophylline, NSC25248, 1,3-dimethyl-8-nitro-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrate, AC1L5DVB, AC1Q3ZIO, SureCN515909, SureCN4354750, Oprea1_109179, Bio-0259, CTK4E5629, MolPort-000-821-886, MolPort-004-622-613, KST-1B2044, AC1Q2166, NSC14354

IUPAC Name

1,3-dimethyl-8-nitro-7H-purine-2,6-dione

Canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)[N+](=O)[O-]

InChI Key

ZWBASWPKNUWUSZ-UHFFFAOYSA-N

Boiling Point

535ºC at 760mmHg

Flash Point

277.4ºC

Density

1.67g/cm³