Consensus flow list

2-[2-(dimethylamino)ethoxy]ethyl N-{3-[2-(2-(dimethylamino)ethoxy)ethoxycarbonylaminomethyl]-3,5,5-trimethylcyclohexyl}carbamate

fo-c2cd999084540439

Identity

Type
Neutral molecule
CAS
351197-46-1
EC
441-100-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-[2-(dimethylamino)ethoxy]ethyl N-{3-[2-(2-(dimethylamino)ethoxy)ethoxycarbonylaminomethyl]-3,5,5-trimethylcyclohexyl}carbamate

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ALANNFAXTFZBEG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H48N4O6/c1-23(2)16-20(26-22(30)34-15-13-32-11-9-28(6)7)17-24(3,18-23)19-25-21(29)33-14-12-31-10-8-27(4)5/h20H,8-19H2,1-7H3,(H,25,29)(H,26,30)
IUPAC name chemrof:IUPAC_name 2-[2-(dimethylamino)ethoxy]ethyl N-{3-[2-(2-(dimethylamino)ethoxy)ethoxycarbonylaminomethyl]-3,5,5-trimethylcyclohexyl}carbamate
Molecular formula chemrof:molecular_formula C24H48N4O6
Molecular mass chemrof:molecular_mass 488.67
Monoisotopic mass chemrof:monoisotopic_mass 488.357385
SMILES string chemrof:smiles_string CN(C)CCOCCOC(=O)NCC1(C)CC(NC(=O)OCCOCCN(C)C)CC(C)(C)C1

Known URLs

4

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=351197-46-1 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60698427 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/53424022 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82628634 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
fa102bff-fac3-4508-b774-b925c4aea1a2 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e0b02165-9cae-4f41-8a30-3e995994ea3c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
90b479ca-dcb4-4a06-8b48-138e71b9d418 Environmental → Air → Indoor EF 3.1 kg 4
d4a5870f-6860-4747-b6cd-dfa9bba89681 Environmental → Air → Long-term EF 3.1 kg 0
b6c52e4e-7347-4b1b-b8e7-b6d23320ebe3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
60b0f50c-18b0-47c5-b288-f6ceba820abb Environmental → Air → Unknown EF 3.1 kg 4
cfbf18b6-10a2-4f4a-8c19-88a786a8f136 Environmental → Ground → Agricultural EF 3.1 kg 4
557a6d93-3a2b-4771-9f48-b3fdbd39d5f8 Environmental → Ground → Non-agricultural EF 3.1 kg 4
20489585-7324-4ccb-ae87-f87d3823d402 Environmental → Ground → Unknown EF 3.1 kg 4
9cbae575-5878-4a90-804c-57180d4c0e0c Environmental → Water → Long-term EF 3.1 kg 0
680a655e-5e97-4e41-ba7b-1981f5da8e31 Environmental → Water → Ocean EF 3.1 kg 4
b242c9f7-0efe-4da3-884d-4d58b97e1ada Environmental → Water → Surface water EF 3.1 kg 4
43515a9e-065a-4a8e-b0c0-f0d41352c83b Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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      "@value": "2-[2-(Dimethylamino)ethoxy]ethyl N-[[5-[[[2-[2-(dimethylamino)ethoxy]ethoxy]carbonyl]amino]-1,3,3-trimethylcyclohexyl]methyl]carbamate",
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    {
      "@value": "Carbamic acid, [3-[[[[2-[2-(dimethylamino)ethoxy]ethoxy]carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-, 2-[2-(dimethylamino)ethoxy]ethyl ester",
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}

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