Consensus flow list

(r)-1-(3-methoxyphenyl)ethylamine

fo-887f58b11b33ff25

Identity

Type
NeutralMolecule
CAS
88196-70-7
EC
618-126-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (r)-1-(3-methoxyphenyl)ethylamine

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 CJWGCBRQAHCVHW-SSDOTTSWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H13NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,10H2,1-2H3/t7-/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string COc1cccc([C@@H](C)N)c1
IUPAC name chemrof:IUPAC_name (r)-1-(3-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 COc1cccc(C(C)N)c1

Known URLs

5

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=88196-70-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.125.303 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301299481 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J735.530K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7020759 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
28717527-5914-4cf6-8a70-90f6b6b836a5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
da800568-181d-45ea-bdfb-c1ba806abba1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
31a163b1-46c9-438e-82b5-ad1f5b4c65da Environmental → Air → Indoor EF 3.1 kg 2
76190ab0-7f1a-42f3-915c-7203894290a8 Environmental → Air → Long-term EF 3.1 kg 0
654fcd20-6691-468c-81ec-0d18504bcb9b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3910c1dc-6647-4b5b-83a7-094270c9f0cb Environmental → Air → Unknown EF 3.1 kg 2
9350573b-dcf7-4492-968c-51040bbf07c2 Environmental → Ground → Agricultural EF 3.1 kg 2
bcb4bd2a-5455-41c1-8f57-e81098e44309 Environmental → Ground → Non-agricultural EF 3.1 kg 2
efff0fc6-06da-402e-b7c8-154a011fba3f Environmental → Ground → Unknown EF 3.1 kg 2
5f8f6257-9100-4f0a-8f03-96f18409b434 Environmental → Water → Long-term EF 3.1 kg 0
43c62ff7-51e0-4dac-b1d6-9c412d9368bf Environmental → Water → Ocean EF 3.1 kg 2
8d4c10b7-f7ca-42c8-91bd-16d428db2e42 Environmental → Water → Surface water EF 3.1 kg 2
3c71c765-5872-460f-bbc8-75d19da257e3 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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