4-isopropylaniline
fo-b1643f97c3194ed8
Identity
- Type
- Neutral molecule
- CAS
- 99-88-7
- EC
- 202-797-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
17- 1-Amino-4-isopropylbenzene
- 4-(1-methylethyl)aniline
- 4-(1-Methylethyl)benzenamine
- 4-(2-Propyl)aniline
- 4-(propan-2-yl)aniline
- 4-Amino-1-isopropylbenzene
- 4-Aminocumene
- 4-Aminoisopropylbenzene
- 4-Isopropylbenzenamine
- 4-Isopropylphenylamine
- [4-(1-Methylethyl)phenyl]amine
- Benzenamine, 4-(1-methylethyl)-
- Cumidine
- p-Aminocumene
- p-Cumidine
- p-Isopropylaniline
- β-(4-Aminophenyl)propane
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | LRTFPLFDLJYEKT-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 4-isopropylaniline |
| Molecular formula chemrof:molecular_formula | C9H13N |
| Molecular mass chemrof:molecular_mass | 135.21 |
| Monoisotopic mass chemrof:monoisotopic_mass | 135.104799, 135.1048 |
| SMILES string chemrof:smiles_string | CC(C)c1ccc(N)cc1 |
Known URLs
19Where 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=99-88-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:43405 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.543 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.208.040 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID20243932 | enrich_references.pubchem_identifier_url |
| drugbank.ca | https://www.drugbank.ca/drugs/DB02114 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7198 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0D54T7V7XL | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0062481 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.624F | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=146723 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:ISO | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7464 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018979 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/11838430 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19836052 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/21110068 | enrich_references.chebi_xrefs |
| reaxys | reaxys:1930544 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q27093183 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 18b18ceb-b2c3-444d-8c63-8fe61ed9973b | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 64094c00-a82e-4fcb-bc8f-7dc8b53fe26d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 44c1047e-7dda-4092-812e-a583828e2f88 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| f14778de-8ac8-43b9-8027-892f38bc01dd | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 1d361dbe-2bed-44f1-84e9-49d8e7a7d901 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 6b451012-45c4-47d3-8806-3e60958418f9 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| da1181ce-badd-4aad-8422-016ecfdb6664 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 05d670f0-ca43-4887-92e4-8e6d26c3f237 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 58ac965e-bbeb-4f69-a864-7f1b289ba146 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| e232ee88-5426-4fef-9abf-8bda07a07311 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| e4795b45-4e38-4017-9913-f52af4f4cc58 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 61c3c112-61dc-4abd-8dfb-987af1644c34 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| b9f06445-a36e-4c20-b103-7a39672d4d8c | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
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