N,n'-propylene-1,3-diylbis[n-(hydroxycarbonylmethyl)glycine]
fo-03d0b85fe5f1a5c2
Identity
- Type
- Neutral molecule
- CAS
- 1939-36-2
- EC
- 400-400-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 55 across every transformer
Structure
Alternative labels
14- 1,3-Diaminopropane-N,N,N′,N′-tetraacetic acid
- 1,3-Diaminopropanetetraacetic acid
- 1,3-PDTA
- 1,3-Propanediamine-N,N,N′,N′-tetraacetic acid
- 1,3-Propanediaminetetraacetic acid
- 2-([3-[Bis(carboxymethyl)amino]propyl](carboxymethyl)amino)acetic acid
- 2-[3-[Bis(carboxymethyl)amino]propyl-(carboxymethyl)amino]acetic acid
- Acetic acid, (trimethylenedinitrilo)tetra-
- Chelest PD 4H
- Glycine, N,N′-1,3-propanediylbis[N-(carboxymethyl)-
- N,N′-1,3-Propanediylbis[N-(carboxymethyl)glycine]
- PDTA
- TMTA
- Trimethylenediaminetetraacetic acid
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | DMQQXDPCRUGSQB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21) |
| IUPAC name chemrof:IUPAC_name | 2-([3-[Bis(carboxymethyl)amino]propyl](carboxymethyl)amino)acetic acid |
| Molecular formula chemrof:molecular_formula | C11H18N2O8 |
| Molecular mass chemrof:molecular_mass | 306.271 |
| Monoisotopic mass chemrof:monoisotopic_mass | 306.106316 |
| SMILES string chemrof:smiles_string | O=C(O)CN(CCCN(CC(=O)O)CC(=O)O)CC(=O)O |
Known URLs
10Where 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=1939-36-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.242 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.107.621 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9029225 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18484 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1863868 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3F6OA94EER | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J211.566B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/80296 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27257149 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| de37900f-903f-4950-aa26-4f7c89363f9d | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 489eb49b-d165-4398-82f1-84db36f9c192 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 94a2e94f-5f4d-4410-8b82-9512d3b2d6f1 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 1d265454-25f6-4495-9508-91ca66a6a800 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| d33e4412-158e-4eed-bb01-1a886b9fef53 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 47a60b12-a201-449a-8698-197bda265f42 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 061089ea-0418-4277-b931-5305030a3b77 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 68daedbc-82ff-46f5-9fde-406d0ee97cc5 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| d419c06c-7f13-4fdb-a386-aff86545ce64 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 9f9ddb78-2ec9-4a58-8543-aaf82a809550 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 88a166f9-cba3-4364-9977-7d0fa30436ec | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 191f958c-5f38-4ee6-a811-c2bb4873a24e | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| e16b76e6-93e6-4618-845d-8174784a7a14 | 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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"prov:wasDerivedFrom": "pubchem.identifiers[1939-36-2]"
}
}
],
"created_from": {
"resolver": "hybrid_name_cas_v1",
"seed_uuid": "061089ea-0418-4277-b931-5305030a3b77",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
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],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"1939-36-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=1939-36-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
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}
],
"provenance": {
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"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"400-400-9"
],
"rdfs:seeAlso": [
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],
"provenance": {
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"prov:hadPrimarySource": [
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],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
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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