Consensus flow list

3-(hexahydro-4,7-methanoindan-5-yl)-1,1-dimethylurea

fo-4ea7a0ee6e8fc59a

Identity

Type
Neutral molecule
CAS
2163-79-3
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-(hexahydro-4,7-methanoindan-5-yl)-1,1-dimethylurea

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YGLMVCVJLXREAK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)
IUPAC name chemrof:IUPAC_name 3-(hexahydro-4,7-methanoindan-5-yl)-1,1-dimethylurea
Molecular formula chemrof:molecular_formula C13H22N2O
Molecular mass chemrof:molecular_mass 222.332
Monoisotopic mass chemrof:monoisotopic_mass 222.173213
SMILES string chemrof:smiles_string CN(C)C(=O)NC1CC2CC1C1CCCC21

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=2163-79-3 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82233 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020691 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J36.565C enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C19111 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16556 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27155826 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
341d54d9-63eb-4015-9c1b-0866fe3c2ce0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d8fea2b2-9912-4d65-9eee-bc8a29b366f1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
130a643b-a4c9-4bca-bd72-5d032676120e Environmental → Air → Indoor EF 3.1 kg 2
b1316559-db07-4400-98f2-03553f74826e Environmental → Air → Long-term EF 3.1 kg 0
6fc8873e-bed9-4eb5-94d5-7a078577c002 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
52f26cd0-e698-4b37-bb12-84705d2a7951 Environmental → Air → Unknown EF 3.1 kg 2
a345b24c-1674-4c71-8dc4-ac872bbef89e Environmental → Ground → Agricultural EF 3.1 kg 2
6aefaf8e-cf60-4f2d-8cfc-660886c16653 Environmental → Ground → Non-agricultural EF 3.1 kg 2
d9695a8301f5e2fef28a48869ae85b74fde84eb6 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
6df76927-1d1f-41d3-ae13-1f308bde48b8 Environmental → Ground → Unknown EF 3.1 kg 2
2019bdc9-5936-4796-a19f-26b54baa2c1a Environmental → Water → Long-term EF 3.1 kg 0
84efe4a1-9134-4434-aa26-b85e325d6976 Environmental → Water → Ocean EF 3.1 kg 2
acee0e62-c258-4a33-9a63-008c0009a3c1 Environmental → Water → Surface water EF 3.1 kg 2
07d202e9-7874-4735-9b14-c08d2bbdfb40 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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  "altLabel": [
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    },
    {
      "@value": "1-(3a,4,5,6,7,7a-Hexahydro-4,7-methano-5-indanyl)-3,3-dimethylurea",
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      "@value": "1-(Tetrahydrodicyclopentadienyl)-3,3-dimethylurea",
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    },
    {
      "@value": "3-[5-(3a,4,5,6,7,7a-Hexahydro-4,7-methanoindanyl)]-1,1-dimethylurea",
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