2,5-Dimethoxy-4-[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]benzenediazonium
Basic information
- CAS
12235-36-8- Standard SMILES
COc1cc([N+]#N)c(OC)cc1N=NC(C(C)=O)C(=O)Nc1ccccc1- InChIKey
HGHGLKGQEZWRFS-UHFFFAOYSA-O- Molecular formula
- C18H18N5O4+
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.13587907
Names & identifiers
- Preferred name
- 2,5-Dimethoxy-4-[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]benzenediazonium
- IUPAC
- 4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2,5-dimethoxybenzenediazonium
- English name
- Benzenediazonium, 2,5-dimethoxy-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-
- Molecular formula
- C18H18N5O4
- Molecular weight
- 368.37
Names & synonyms
DTXSID1011295272,5-Dimethoxy-4-[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]benzenediazonium12235-36-84-[(1-Anilino-1,3-dioxobutan-2-yl)diazenyl]-2,5-dimethoxybenzene-1-diazoniumAzoic Diazo Component 118C.I.Azoic Diazo Component 118:C.I.37222Benzenediazonium, 2,5-dimethoxy-4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]-2,5-Dimethoxy-4-[2-[2-oxo-1-[(phenylamino)carbonyl]propyl]diazenyl]benzenediazonium (ACI)
Database identifiers
- CAS
12235-36-8- PubChem CID
- 105809
- DTXSID
DTXSID101129527- EC Number
- 602-569-6
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 596
Physicochemical properties
- pka
- -0.688 · -0.688±0.59(predicted)
Chemistry & industry
Preparation methods
Preparation2,5-Dimethoxy-4-nitrobenzenamine diazo, and 3-Oxo-N-phenylbutanamide coupling, and then reduction.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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