Consensus flow list

Identity

Type
Neutral molecule
CAS
119313-12-1
EC
404-360-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-benzyl-2-dimethylamino-4'-morpholinobutyrophenone

Alternative labels

19

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UHFFVFAKEGKNAQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H30N2O2/c1-4-23(24(2)3,18-19-8-6-5-7-9-19)22(26)20-10-12-21(13-11-20)25-14-16-27-17-15-25/h5-13H,4,14-18H2,1-3H3
IUPAC name chemrof:IUPAC_name 2-benzyl-2-dimethylamino-4'-morpholinobutyrophenone
Molecular formula chemrof:molecular_formula C23H30N2O2
Molecular mass chemrof:molecular_mass 366.505
Monoisotopic mass chemrof:monoisotopic_mass 366.230728
SMILES string chemrof:smiles_string CCC(Cc1ccccc1)(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C

Known URLs

9

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=119313-12-1 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.600 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.107.900 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5044786 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187611 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/413O6RKS6B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J261.950D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86171 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27258386 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
038e8c27-f39f-496c-9f52-e1db016bfc99 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4410c9a4-b70f-4d47-9756-8b08b27fd9eb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
536ccabe-2408-4de2-a249-ada0dccdf8ca Environmental → Air → Indoor EF 3.1 kg 4
c8ccafa3-fb89-4b4a-8299-ab7b0c483253 Environmental → Air → Long-term EF 3.1 kg 0
dc10dec0-4a54-4fd3-8c55-ee8b8eaec3c5 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
834f6503-8bbb-4e13-a120-5696fcdac8bf Environmental → Air → Unknown EF 3.1 kg 4
3cd3706e-5f25-4395-9055-aacf8760d2ed Environmental → Ground → Agricultural EF 3.1 kg 4
72b62491-e0df-4675-8b12-c44c0c781cb9 Environmental → Ground → Non-agricultural EF 3.1 kg 4
459341be-920f-4dd7-b0d2-278c71e7960d Environmental → Ground → Unknown EF 3.1 kg 4
e434a408-11ef-47ec-9308-d2925c3993e8 Environmental → Water → Long-term EF 3.1 kg 0
da783c0d-5177-4e49-9805-78e6c70724a5 Environmental → Water → Ocean EF 3.1 kg 4
d76beaee-1892-4461-9af2-f84b5cf86d5d Environmental → Water → Surface water EF 3.1 kg 4
19d3556d-90e4-45f8-9427-3e433f1d265d 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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  "altLabel": [
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    },
    {
      "@value": "Genocure BDMM",
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    },
    {
      "@value": "IHT-PI 910",
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    },
    {
      "@value": "JRCure 1122",
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    {
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    {
      "@value": "α-Benzyl-α-(dimethylamino)-4-morpholinobutyrophenone",
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