N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
fo-4bb7220040f5d3ee
Identity
- Type
- Neutral molecule
- CAS
- 581076-60-0
- EC
- 611-622-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
2- Benzamide, N-(4-methyl-3-nitrophenyl)-4-[(4-methyl-1-piperazinyl)methyl]-
- N-(4-Methyl-3-nitrophenyl)-4-[(4-methyl-1-piperazinyl)methyl]benzamide
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | GHWOXPOJAZVXAK-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H24N4O3/c1-15-3-8-18(13-19(15)24(26)27)21-20(25)17-6-4-16(5-7-17)14-23-11-9-22(2)10-12-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,25) |
| IUPAC name chemrof:IUPAC_name | N-(4-methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
| Molecular formula chemrof:molecular_formula | C20H24N4O3 |
| Molecular mass chemrof:molecular_mass | 368.437 |
| Monoisotopic mass chemrof:monoisotopic_mass | 368.184841 |
| SMILES string chemrof:smiles_string | Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1[N+](=O)[O-] |
Known URLs
5Where 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=581076-60-0 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.109.958 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID30652652 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/29984087 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q82566254 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| fbd755d7-1feb-4f46-98f5-1712b6cdc6a2 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| ece01fa9-11fd-462c-bd96-5e5bd195a082 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| afd32be3-2ae1-4f7d-ae89-3871b6a5d918 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 43eb3547-d238-4899-b6e6-5e89af306bec | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 93af4db6-872d-4a11-b6f7-2df2ff7dbae8 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| a3ef23eb-6b60-4f34-aee4-5ed696162054 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 5177627a-0215-4fb2-b9b0-632275798b2a | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 9f1468b3-6e09-44aa-aa67-c6e938e1c242 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 63864047-27cb-4947-94f4-d5d9593bc5f8 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| f92b4248-acad-43c3-aca1-82abefda9d2e | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 6e1b15ab-accf-450b-8c55-faedabae65f6 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| ec8860d5-cd89-489d-8711-5c8724bcbf9c | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| aae93191-c89f-4dcf-9289-9aa5c492ab12 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (55 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works