4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) Acetate
fo-a9aa55c03e17e774
Identity
- Type
- ChemicalSalt
- CAS
- 84281-74-3
- EC
- 282-617-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
1- 1,3-Benzenediamine, coupled with diazotized m-phenylenediamine, acetates
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | VNLHFBVWKXKWOS-SPBSJSFYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H18N8.2C2H4O2/c19-11-4-6-17(15(21)8-11)25-23-13-2-1-3-14(10-13)24-26-18-7-5-12(20)9-16(18)22;2*1-2(3)4/h1-10H,19-22H2;2*1H3,(H,3,4)/b25-23+,26-24+;; |
| Isomeric SMILES string chemrof:isomeric_smiles_string | CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1/N=N/c1cccc(/N=N/c2ccc([NH3+])cc2N)c1 |
| IUPAC name chemrof:IUPAC_name | 4,4'-(1e,1'e)-1,3-phenylenebis(diazene-2,1-diyl)bis(3-aminobenzenaminium) Acetate |
| Molecular formula chemrof:molecular_formula | C22H26N8O4 |
| Molecular mass chemrof:molecular_mass | 466.502 |
| Monoisotopic mass chemrof:monoisotopic_mass | 466.207701 |
| SMILES string chemrof:smiles_string | CC(=O)[O-].CC(=O)[O-].Nc1cc([NH3+])ccc1N=Nc1cccc(N=Nc2ccc([NH3+])cc2N)c1 |
Known URLs
1Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=84281-74-3 | enrich_references.consensus_cas_link |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| c77662a3-2e73-478f-911a-8fa2fa7603c9 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 7327dccb-13d6-4061-81be-7a783e860cdb | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 26a57aab-8cbb-4097-bd9e-16064dceb2fb | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 6985a290-cc77-44e1-a2b7-5702e1a92117 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| e74f16bf-4540-44aa-afec-bce5ed2ac4eb | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 2d987d6e-73d0-490f-a0a3-e3f0ac3e2c4b | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 213d6818-5b8e-4a56-9635-f893a6a89cbc | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| c4aad9b2-5162-4058-819f-1da76a62df31 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 1eaca085-9327-402c-b9d9-66861c3d79bb | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 475d5261-c536-470b-b38a-7b8347b9304f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 01000dcd-7f43-4942-99c7-7e30c79cda1a | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 94fc1398-0324-4005-9c78-6eec3b2ce325 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| fa4bec84-e70b-495f-845e-b56dc6738a64 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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