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1-Phenylethylamine

fo-b4986debdaa5cfe8

Identity

Type
Neutral molecule
CAS
618-36-0
EC
210-545-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 1-Phenylethylamine

Alternative labels

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RQEUFEKYXDPUSK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3
IUPAC name chemrof:IUPAC_name 1-Phenylethylamine
Molecular formula chemrof:molecular_formula C8H11N
Molecular mass chemrof:molecular_mass 121.183
Monoisotopic mass chemrof:monoisotopic_mass 121.089149, 121.08915
SMILES string chemrof:smiles_string CC(N)c1ccccc1

Known URLs

22

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=618-36-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:670 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.460 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.588 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40862301 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8391 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL278059 enrich_references.pubchem_identifier_url
gmelin gmelin:26723 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/HZ9DM6B2MT enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002017 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J66.056F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02455 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02455 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130009 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7408 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018562 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11197147 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22467646 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24117430 enrich_references.chebi_xrefs
reaxys reaxys:636127 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q3560549 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Phenylethylamine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
fb610161-e428-4eb3-9a5c-2200c06a0269 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0a9b8d3c-784b-445f-b12a-897883637f99 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f722cda8-6568-467a-822d-bea87cf8c575 Environmental → Air → Indoor EF 3.1 kg 2
6db3f4ea-2a4e-4d2a-92fc-2b4d8725f4a6 Environmental → Air → Long-term EF 3.1 kg 0
98ca9f00-e7ff-4bcf-bd27-927b52b907fd Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1940b3b3-47e8-462a-aa0c-803f70a62843 Environmental → Air → Unknown EF 3.1 kg 2
e59d6bd6-ba6e-4d6b-8efe-08162915da2a Environmental → Ground → Agricultural EF 3.1 kg 2
f276cbd4-199b-4eeb-86ae-3002b2840a85 Environmental → Ground → Non-agricultural EF 3.1 kg 2
bea4bc79-303e-4745-b033-da12ff9e8b42 Environmental → Ground → Unknown EF 3.1 kg 2
0729e3d7-8a48-4015-b6ed-4dff6a9d199c Environmental → Water → Long-term EF 3.1 kg 0
746c6aa2-ef7e-477e-8f6e-9cc199ffe58e Environmental → Water → Ocean EF 3.1 kg 2
512b6cdc-4333-49ed-a5aa-6fb9a4c3c874 Environmental → Water → Surface water EF 3.1 kg 2
55ab6008-a7b0-4f59-af5d-ccb7c902571f 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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      "@value": "Benzylamine, α-methyl-, dl-",
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    {
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