4,4'-methylenebis(n-butoxycarbonylcyclohexanamine)
fo-809000c0e1271e0f
Identity
- Type
- Neutral molecule
- CAS
- 99305-42-7
- EC
- 619-422-7
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
Alternative labels
3- C,C′-Dibutyl N,N′-methylenebis(4,1-cyclohexanediyl)bis[carbamate]
- Carbamic acid, (methylenedi-4,1-cyclohexanediyl)bis-, dibutyl ester
- Carbamic acid, N,N′-methylenebis(4,1-cyclohexanediyl)bis-, C,C′-dibutyl ester
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XPMSIFQMNOZZLL-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C23H42N2O4/c1-3-5-15-28-22(26)24-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)25-23(27)29-16-6-4-2/h18-21H,3-17H2,1-2H3,(H,24,26)(H,25,27) |
| IUPAC name chemrof:IUPAC_name | N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid butyl ester, N-[4-[[4-[[butoxy(oxo)methyl]amino]cyclohexyl]methyl]cyclohexyl]carbamic acid butyl ester, butyl N-[4-[[4-(butoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate |
| Molecular formula chemrof:molecular_formula | C23H42N2O4 |
| Molecular mass chemrof:molecular_mass | 410.599 |
| Monoisotopic mass chemrof:monoisotopic_mass | 410.314458 |
| SMILES string chemrof:smiles_string | CCCCOC(=O)NC1CCC(CC1)CC2CCC(CC2)NC(=O)OCCCC |
Known URLs
6Where 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=99305-42-7 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.112.016 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID90893706 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.227.815B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/11742316 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q81987748 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 338b6ceb-1c4d-4fde-ad03-f1fa9b4d0f9f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 1175cbfd-65f7-41c8-bf5d-261281dab974 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| 20f3ff59-1e2d-45fa-a63a-7bd084b06b74 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 34eb1074-b010-48c0-b3ac-fbf28396ae90 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 3f228099-c14f-4c2d-abd0-f79fcb52e84b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 5a8e0346-f85d-4adc-8e47-c632d2a142ed | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| c133a7a6-e7ef-4df9-ac25-ad0e3551c303 | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| fda65570-e3d2-45c2-82df-308f90afdc73 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 3d27d9c5-de80-43b0-a80f-8abd7035c1ff | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 22719f86-4aec-4699-a8da-2546325cc4d1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 2e1ddfa1-5c25-46de-87aa-25f7a6963417 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| a072d1f2-2401-4078-9c8c-411a341a2526 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| 036a0a22-b4f1-4a5c-83db-d7b995ce083f | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (53 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