Consensus flow list

Cis-2,6-dimethylmorpholine

fo-a8a1df678c224308

Identity

Type
Neutral molecule
CAS
6485-55-8
EC
229-353-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Cis-2,6-dimethylmorpholine

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HNVIQLPOGUDBSU-OLQVQODUSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H13NO/c1-5-3-7-4-6(2)8-5/h5-7H,3-4H2,1-2H3/t5-,6+
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@@H]1CNC[C@H](C)O1
IUPAC name chemrof:IUPAC_name Cis-2,6-dimethylmorpholine
Molecular formula chemrof:molecular_formula C6H13NO
Molecular mass chemrof:molecular_mass 115.176
Monoisotopic mass chemrof:monoisotopic_mass 115.099714
SMILES string chemrof:smiles_string CC1CNCC(C)O1

Known URLs

7

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=6485-55-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.026.685 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00896844 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VWD860P007 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J225.149C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/641500 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27292052 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
2f85c88d-b49e-4fe1-be50-a12b8b4d3731 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
2b465985-55da-4a30-9408-532dbae5e230 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
89e50261-11a2-43e2-b9d3-b3cdae2f5c28 Environmental → Air → Indoor EF 3.1 kg 2
3341b803-6c29-4adc-9be9-a7dcfebd2266 Environmental → Air → Long-term EF 3.1 kg 0
a065c7f1-3e09-46d0-af3c-96c621448ac9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b2dd99e8-3da6-4247-9cbc-c40c84cfbea7 Environmental → Air → Unknown EF 3.1 kg 2
e6ecf5f3-7010-48ce-9964-67aec7baff6c Environmental → Ground → Agricultural EF 3.1 kg 2
7e53f5a8-8dbe-4495-b64e-8ff275f28da4 Environmental → Ground → Non-agricultural EF 3.1 kg 2
559dc6e2-3188-4629-a3fd-612caf4af8e9 Environmental → Ground → Unknown EF 3.1 kg 2
c3e1f39b-ef6a-4e3d-9499-d605505aedc1 Environmental → Water → Long-term EF 3.1 kg 0
731d533e-baf4-446b-b786-12b3ac652714 Environmental → Water → Ocean EF 3.1 kg 2
aaad981f-68c4-4659-ba31-f949c4c78318 Environmental → Water → Surface water EF 3.1 kg 2
e05de1d1-49d9-47b8-9fe5-8caf525cb15e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
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      "@value": "(2R,6S)-2,6-Dimethylmorpholine",
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