2-(undec-10-enoylamino)-3-phenylpropanoic Acid
fo-027f593e04e6e667
Identity
- Type
- Neutral molecule
- CAS
- 420805-16-9
- EC
- 446-800-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | RTBWWWVNZWFNBV-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C20H29NO3/c1-2-3-4-5-6-7-8-12-15-19(22)21-18(20(23)24)16-17-13-10-9-11-14-17/h2,9-11,13-14,18H,1,3-8,12,15-16H2,(H,21,22)(H,23,24) |
| IUPAC name chemrof:IUPAC_name | 2-(undec-10-enoylamino)-3-phenylpropanoic Acid |
| Molecular formula chemrof:molecular_formula | C20H29NO3 |
| Molecular mass chemrof:molecular_mass | 331.456 |
| Monoisotopic mass chemrof:monoisotopic_mass | 331.214744 |
| SMILES string chemrof:smiles_string | C=CCCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)O |
Known URLs
4Where 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=420805-16-9 | enrich_references.consensus_cas_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID201019713 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/17965565 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q126611898 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4faccc1d-f6fa-48e5-a05b-db27d7fa3553 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 4f2a5485-5e9b-494b-8e2e-3113229da06d | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 0d4bb43c-35a8-4413-9fdc-207c726996fc | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 795168c9-9c36-4512-aab6-6eade0effcff | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 0254c449-9af4-410e-9e12-d854432b9f37 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| fee75e55-18a0-4057-b9c0-06b89160a4ec | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 31e1b9ae-ead3-4575-b41d-f23c907fdbe0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 6b686d4c-7733-4180-b9dd-7967a2583a41 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 4b855390-10d2-4ea7-b824-8da2822243ef | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| ed2fa9cd-54ec-4489-91db-52043ffd6342 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 4293a3a0-73c0-4c8d-9ee2-8d6a50bfcade | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 8c1a6b4b-2508-442e-ad06-e169264adce2 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| c2e40538-0f63-4638-9158-955ccd96b63e | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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