Consensus flow list

(s)-1-(4-methoxyphenyl)ethylamine

fo-39ce9a877d08808a

Identity

Type
NeutralMolecule
CAS
41851-59-6
EC
609-962-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (s)-1-(4-methoxyphenyl)ethylamine

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

Alternative labels

19

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JTDGKQNNPKXKII-ZETCQYMHSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3/t7-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string COc1ccc([C@H](C)N)cc1
IUPAC name chemrof:IUPAC_name (s)-1-(4-methoxyphenyl)ethylamine
Molecular formula chemrof:molecular_formula C9H13NO
Molecular mass chemrof:molecular_mass 151.209
Monoisotopic mass chemrof:monoisotopic_mass 151.099714
SMILES string chemrof:smiles_string COc1ccc(C(C)N)cc1

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=41851-59-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.116.429 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00355183 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BDP7534CFN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J57.086I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/793467 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72517625 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a9be5e80-bcdf-4f2d-958f-16d3fc82bbb3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7d82f4d5-750f-4eaf-a8de-6a518a1813d6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1cbd01d7-6f4c-45dc-b2ee-7602d7bd0bf0 Environmental → Air → Indoor EF 3.1 kg 2
09318b13-3067-430a-b4e3-36b865b03d6f Environmental → Air → Long-term EF 3.1 kg 0
0a92f1ea-d6f8-4c9e-8c0e-28c39365b4ee Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8df1f891-664e-4400-af3c-2e93d6111a90 Environmental → Air → Unknown EF 3.1 kg 2
239bbcb5-3709-4ae6-89fd-5e72b7f63a31 Environmental → Ground → Agricultural EF 3.1 kg 2
4bf4553d-cc76-4bd3-9b2d-607df1b93573 Environmental → Ground → Non-agricultural EF 3.1 kg 2
211d3392-e0cf-4b36-b67f-13ac29c8b537 Environmental → Ground → Unknown EF 3.1 kg 2
c18f90b1-a931-4c02-bac2-c95bdf4bb852 Environmental → Water → Long-term EF 3.1 kg 0
4c6f1d8c-09c2-4328-ab2a-694b6c029f12 Environmental → Water → Ocean EF 3.1 kg 2
fbf9520b-9e5f-4107-862f-112af6d30355 Environmental → Water → Surface water EF 3.1 kg 2
4b7702a6-ab76-4d5d-82af-189af745eda1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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