Consensus flow list

Potassium Hydrogen {[bis(phosphonomethyl)amino]methyl}phosphonate

fo-2583ee11e65290f9

Identity

Type
Chemical salt
CAS
27794-93-0
EC
248-660-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Potassium Hydrogen {[bis(phosphonomethyl)amino]methyl}phosphonate

This substance carries 5 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string BPCXVIJXUIWHOA-UHFFFAOYSA-M, DKPHLYCEFBDQKM-UHFFFAOYSA-H, JOSSDGOJYKQCPR-UHFFFAOYSA-N, PUDMJEGJWKDWKU-UHFFFAOYSA-J, ZPFWKKYLDZMVDE-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C3H11NO6P2.4K/c4-3(12(8,9)10)1-2-11(5,6)7;;;;/h3H,1-2,4H2,(H2,5,6,7)(H2,8,9,10);;;;/q;4*+1/p-4, InChI=1S/C3H12NO9P3.6K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;;, InChI=1S/C3H12NO9P3.6K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;;/q;6*+1/p-6, InChI=1S/C3H12NO9P3.K/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);/q;+1/p-1, InChI=1S/C6H20N2O12P4.K/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);/q;+1/p-1
IUPAC name chemrof:IUPAC_name hexapotassium;1-phosphonato-N,N-bis(phosphonatomethyl)methanamine, hexapotassium;tris(phosphonatomethyl)amine, potassium [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxy-phosphinate, potassium [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-hydroxyphosphinate, potassium [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methyl-oxidanyl-phosphinate, potassium [bis(phosphonomethyl)amino]methyl-hydroxy-phosphinate, potassium [bis(phosphonomethyl)amino]methyl-hydroxyphosphinate, potassium [bis(phosphonomethyl)amino]methyl-oxidanyl-phosphinate, tetrapotassium;1,3-diphosphonato-1-propanamine, tetrapotassium;1,3-diphosphonatopropan-1-amine, tetrapotassium;1,3-diphosphonatopropylamine
Molecular formula chemrof:molecular_formula C3H11KNO9P3, C3H12K6NO9P3, C3H6K6NO9P3, C3H7K4NO6P2, C6H19KN2O12P4
SMILES string chemrof:smiles_string C(CN(CP(=O)(O)O)CP(=O)(O)[O-])N(CP(=O)(O)O)CP(=O)(O)O.[K+], C(CP(=O)([O-])[O-])C(N)P(=O)([O-])[O-].[K+].[K+].[K+].[K+], C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O.[K].[K].[K].[K].[K].[K], C(N(CP(=O)(O)O)CP(=O)(O)[O-])P(=O)(O)O.[K+], C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[K+]

Known URLs

11

Where 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=27794-93-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.044.221 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.049.968 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20889738 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J294.710B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/129893784 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/161581 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23707091 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23707125 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/71306998 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82869387 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d3fb1f90-ea2e-4c58-9480-9664d4a721ce Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d8936014-985d-4abe-badf-2a94b023a311 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ab650665-62df-4ded-8938-323c1c938f93 Environmental → Air → Indoor EF 3.1 kg 2
0ad9faab-4ad8-485f-875b-4e0193d70412 Environmental → Air → Long-term EF 3.1 kg 0
d9b07012-5da2-441e-a0a2-0a97d663c7c0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
652e24c2-075a-444b-aba9-1323903152fb Environmental → Air → Unknown EF 3.1 kg 2
0a13c708-b15e-4ddf-a2b7-4ec071c73694 Environmental → Ground → Agricultural EF 3.1 kg 2
ef3c1927-69b0-4089-9426-25a4f94d24d4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9cfe0d76-7a32-454b-8d99-ba331858597e Environmental → Ground → Unknown EF 3.1 kg 2
69d0bb8d-745c-46b3-bd3d-a770ef2385de Environmental → Water → Long-term EF 3.1 kg 0
fcc1acf2-f824-40ce-bc6b-8726ebc0f5c4 Environmental → Water → Ocean EF 3.1 kg 2
9f76a2a6-7eea-4378-adf5-0ec5585bbf27 Environmental → Water → Surface water EF 3.1 kg 2
546dba43-8ed1-4561-90b8-f607e1eb022e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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