Norbornane
fo-6d72bcfc04e96bbd
Identity
- Type
- Neutral molecule
- CAS
- 279-23-2
- EC
- 205-996-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 57 across every transformer
Structure
Alternative labels
10- (1s,4s)-bicyclo[2.2.1]heptane
- 1,4-endo-methylenecyclohexane
- 1,4-Endomethylenecyclohexane
- Bicyclo(2.2.1)heptane
- Bicyclo[2.2.1]heptane
- Cyclohexane, 1,4-endo-methylene-
- Norbornylane
- Norcamphane
- Norfenchane
- Norsantane
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | UMRZSTCPUPJPOJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H12/c1-2-7-4-3-6(1)5-7/h6-7H,1-5H2 |
| IUPAC name chemrof:IUPAC_name | Norbornane |
| Molecular formula chemrof:molecular_formula | C7H12 |
| Molecular mass chemrof:molecular_mass | 96.173 |
| Monoisotopic mass chemrof:monoisotopic_mass | 96.0939 |
| SMILES string chemrof:smiles_string | C1CC2CCC1C2 |
Known URLs
12Where 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=279-23-2 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71546 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.005.452 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4075376 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=91457 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PAF9G8MY72 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.513J | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J952.912H | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=65755 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/9233 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q418111 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Norbornane | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 5e3b22d3-5165-4eb9-ae43-82567e312aec | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 0f98989a-7f97-4189-9197-9704a22c3902 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| aeeaa2be-4d44-4411-a8e0-aff43b6abd43 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| cc851d93-b018-42bc-9a5d-3bd482206876 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| a1eaba36-a039-4b44-880e-915d56cb19ec | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 22999fb7-4685-4b82-ac73-9ad61fb537a5 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| acbf88bb-0c83-4fff-b73d-48fbf775d35b | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| cfe66f06-2585-45a7-a555-4728ebe2a834 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 8a7f21f7-c46c-444d-b8de-becc57034e25 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| b6bc27b3-e5e4-484f-b8fc-5824bddb022d | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| ad88468b-2495-495b-bbbe-f3929cbc8ae8 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 3f5dfef6-cbdd-47e8-9138-f272d618bed9 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| b589fc45-52c0-40f6-a779-7de99405d44e | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (57 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works