Consensus flow list

N-nitrosoephedrine

fo-8ed8f19499b4cef7

Identity

Type
Neutral molecule
CAS
17608-59-2
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for N-nitrosoephedrine

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZVTOLKAVCZXHFM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H14N2O2/c1-8(12(2)11-14)10(13)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3
IUPAC name chemrof:IUPAC_name 2-[Methyl(nitroso)amino]-1-phenyl-1-propanol
Molecular formula chemrof:molecular_formula C10H14N2O2
Molecular mass chemrof:molecular_mass 194.234
Monoisotopic mass chemrof:monoisotopic_mass 194.105528
SMILES string chemrof:smiles_string CC(C(O)c1ccccc1)N(C)N=O

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=17608-59-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.354.805 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1021035 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL424344 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J66.022A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/28638 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81983708 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3e4c8d44-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9122-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7232b69d-892a-40f3-9310-6ac3c6a8068b Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-8fa3-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9eeb-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-8fa2-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-8fa0-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-9f2b-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-8fa1-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9eed-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-9f2c-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9eec-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
08a91e70-3ddc-11dd-9eee-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
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      "@value": "Benzenemethanol, α-[1-(methylnitrosoamino)ethyl]-",
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}

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