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N-nitrosobis(2-hydroxypropyl)amine

fo-7c41c8106fd670cf

Identity

Type
Neutral molecule
CAS
53609-64-6
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-nitrosobis(2-hydroxypropyl)amine

Alternative labels

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MNIGYIKCFSPQRJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H14N2O3/c1-5(9)3-8(7-11)4-6(2)10/h5-6,9-10H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name N-nitrosobis(2-hydroxypropyl)amine
Molecular formula chemrof:molecular_formula C6H14N2O3
Molecular mass chemrof:molecular_mass 162.189
Monoisotopic mass chemrof:monoisotopic_mass 162.10044, 162.100442
SMILES string chemrof:smiles_string CC(O)CN(CC(C)O)N=O

Known URLs

19

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=53609-64-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:131518 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.359.099 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7021021 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL350868 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4J072HB2ND enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251355 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J76.240G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/40828 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/15201437 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15223773 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22634710 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24377951 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25024166 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6533030 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6533034 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/728889 enrich_references.chebi_xrefs
reaxys reaxys:2245909 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27225150 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4d509a-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08a91e70-3ddc-11dd-9b04-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c0a3dc2d-255e-4220-a76c-302c2cfd2c3f Environmental → Air → Indoor EF 3.1 kg 2
08a91e70-3ddc-11dd-9b03-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9b05-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
08a91e70-3ddc-11dd-9b02-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9b00-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9b09-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
08a91e70-3ddc-11dd-9b01-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
08a91e70-3ddc-11dd-9b07-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9b0a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
08a91e70-3ddc-11dd-9b06-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
c8ecec28daa3a1af4fe1f9cdd98aeb3f14146d66 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
08a91e70-3ddc-11dd-9b08-0050c2490048 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 
{
  "flow_object_id": "fo-7c41c8106fd670cf",
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    {
      "@value": "N-nitrosobis(2-hydroxypropyl)amine",
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      }
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  ],
  "altLabel": [
    {
      "@value": "1,1′-(Nitrosoimino)bis[2-propanol]",
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        ],
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    },
    {
      "@value": "2,2'-bishydroxypropylnitrosamine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,2'-dihydroxy-di-n-propylnitrosoamine",
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    },
    {
      "@value": "2,2′-Dihydroxydipropylnitrosamine",
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      }
    },
    {
      "@value": "2-Propanol, 1,1′-(nitrosoimino)bis-",
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    },
    {
      "@value": "di(2-hydroxypropyl)nitrosamine",
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    },
    {
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    },
    {
      "@value": "N,N-bis(2-hydroxypropyl)nitrous amide",
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    },
    {
      "@value": "N-nitroso-N,N-di(2-hydroxypropyl)amine",
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    },
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    {
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