Consensus flow list

2-hydroxy-2-methylpropionitrile

fo-46d75dbdc2be8f8b

Identity

Type
Neutral molecule
CAS
75-86-5
EC
200-909-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 2-hydroxy-2-methylpropionitrile

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MWFMGBPGAXYFAR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
IUPAC name chemrof:IUPAC_name 2-hydroxy-2-methylpropionitrile
Molecular formula chemrof:molecular_formula C4H7NO
Molecular mass chemrof:molecular_mass 85.106
Monoisotopic mass chemrof:monoisotopic_mass 85.05276, 85.052764
SMILES string chemrof:smiles_string CC(C)(O)C#N

Known URLs

23

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=75-86-5 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/OD8D8678.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15348 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.828 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0611 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7025427 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB02203 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB02203 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=131093 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7080 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=977 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1231861 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CO1YOV1KFI enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0060427 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.468K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02659 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02659 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50041 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1231861 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6406 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1541 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q222936 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Acetone_cyanohydrin enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
07c3d7ac-d4a5-40d5-81de-58fb6c0dd6f8 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0d4f6cfb-d809-48cc-9c70-3daaa63ed4f3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
3d2c6db2-f46c-4e6d-85fd-b7e39655d501 Environmental → Air → Indoor EF 3.1 kg 2
939ba7e8-93c7-4e4e-bcc9-074b1619f772 Environmental → Air → Long-term EF 3.1 kg 0
39017711-9177-4413-9354-5baea0794d42 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ba2e89e5-e774-4c36-ab68-3c1904974bfb Environmental → Air → Unknown EF 3.1 kg 2
6b1dab91-f281-498d-ad0d-b75d0f9d1b61 Environmental → Ground → Agricultural EF 3.1 kg 2
92fbcab7-baca-4984-9184-b319cedb3fbe Environmental → Ground → Non-agricultural EF 3.1 kg 2
6b5f8b52-6b24-4376-9e3d-26f1c8b7b240 Environmental → Ground → Unknown EF 3.1 kg 2
0ac2ee93-ecbd-4e14-9a5a-3a8686f755a7 Environmental → Water → Long-term EF 3.1 kg 0
7c8e4827-a776-4f0e-a74a-e78e9a4bd31a Environmental → Water → Ocean EF 3.1 kg 2
2137e504-caec-4579-a8e0-e86eba5596cf Environmental → Water → Surface water EF 3.1 kg 2
49dd4cd8-a89c-4ac7-9535-f7a1a1887362 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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