Consensus flow list

2,4,6-tris[(dimethylamino)methyl]phenol

fo-03b6aa6d31eed333

Identity

Type
Neutral molecule
CAS
90-72-2
EC
202-013-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,4,6-tris[(dimethylamino)methyl]phenol

Alternative labels

40

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AHDSRXYHVZECER-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H27N3O/c1-16(2)9-12-7-13(10-17(3)4)15(19)14(8-12)11-18(5)6/h7-8,19H,9-11H2,1-6H3
IUPAC name chemrof:IUPAC_name 2,4,6-tris[(dimethylamino)methyl]phenol
Molecular formula chemrof:molecular_formula C15H27N3O
Molecular mass chemrof:molecular_mass 265.401
Monoisotopic mass chemrof:monoisotopic_mass 265.215412
SMILES string chemrof:smiles_string CN(C)Cc1cc(CN(C)C)c(O)c(CN(C)C)c1

Known URLs

12

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=90-72-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.831 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5026548 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3257 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1887090 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2AGN35QF4W enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0247627 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J50.180H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7026 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2735 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27254480 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/2,4,6-Tris(dimethylaminomethyl)phenol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
cb7d78d3-6d1a-40a0-9fe7-852ec075e191 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
377740a3-b126-408b-83a4-e4504d9c8ed6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
802b713e-50a1-4b9b-a8a0-5786e955bde6 Environmental → Air → Indoor EF 3.1 kg 4
c16b1755-268b-4301-9c95-ba7889403f90 Environmental → Air → Long-term EF 3.1 kg 0
955187ee-58ad-4233-99b2-df0969cc2577 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7340b0df-8873-4a1e-b181-33c376af54d7 Environmental → Air → Unknown EF 3.1 kg 4
becf4723-8b6b-4b2f-9da2-690aac870567 Environmental → Ground → Agricultural EF 3.1 kg 4
91caebaa-0081-4588-931a-77f7455c4dbd Environmental → Ground → Non-agricultural EF 3.1 kg 4
98ef8d36-3713-4d10-8c11-7360f7df1d29 Environmental → Ground → Unknown EF 3.1 kg 4
e9c1e9ac-0c8d-4f18-a8c4-31e212350989 Environmental → Water → Long-term EF 3.1 kg 0
bc18e160-0d6e-4d26-a491-a8d36a981f78 Environmental → Water → Ocean EF 3.1 kg 4
9c277f68-74a4-41f8-a2d4-a1fed2ef3353 Environmental → Water → Surface water EF 3.1 kg 4
01a89010-93c3-4d0c-aa71-97561a357f58 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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