N,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)

1,6-Hexamethylene bis carbamide caprolactam
1,6-Hexamethylenebis(carbamidocaprolactam)
1H-Azepine-1-carboxamide, N,N′-1,6-hexanediylbis[hexahydro-2-oxo-
1H-Azepine-1-carboxamide, N,N′-hexamethylenebis[hexahydro-2-oxo-
Bruggolen C 20
Bruggolen C 20P
Hexamethylene-1,6-dicarbamoylcaprolactam
Hexamethylenebis(carbamoylcaprolactam)
N,N′-(Hexamethylenedicarbamoyl)dicaprolactam
N,N′-1,6-Hexanediylbis[hexahydro-2-oxo-1H-azepine-1-carboxamide]
ε-Caprolactam-blocked HDI
ε-Caprolactam-blocked HMDI

Property	Value
InChI2D key string chemrof:inchi2d_key_string	YOVRNJUIHVNXCB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C20H34N4O4/c25-17-11-5-3-9-15-23(17)19(27)21-13-7-1-2-8-14-22-20(28)24-16-10-4-6-12-18(24)26/h1-16H2,(H,21,27)(H,22,28)
IUPAC name chemrof:IUPAC_name	1H-Azepine-1-carboxamide, N,N′-1,6-hexanediylbis[hexahydro-2-oxo-
Molecular formula chemrof:molecular_formula	C20H34N4O4
Molecular mass chemrof:molecular_mass	394.516
Monoisotopic mass chemrof:monoisotopic_mass	394.258006
SMILES string chemrof:smiles_string	O=C1CCCCCN1C(=O)NCCCCCCNC(=O)N1CCCCCC1=O

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=5888-87-9	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.025.057	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID9064051	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7BLC62KT66	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J218.123A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/79991	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q81991202	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
0680b3ea-ae78-44c7-a12f-3e3bed2a0566	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
6cfb6808-f86f-48b9-bd65-4a50c3202858	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
3a395c4d-e5e5-4eb7-af2f-532acad25c82	Environmental → Air → Indoor	EF 3.1	kg	2
2e96126c-65cc-4f88-8a2a-8bd14c24d162	Environmental → Air → Long-term	EF 3.1	kg	0
0d654aeb-b12a-4ada-989e-89e1915c0d01	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
0674ff2c-c5e7-4617-83c2-eaf821cb0b4d	Environmental → Air → Unknown	EF 3.1	kg	2
b6b04a0f-63de-4b78-8370-08fa571d0e57	Environmental → Ground → Agricultural	EF 3.1	kg	2
0a44410c-b327-4f84-949e-5315a6467f01	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6dfbc4d6-756f-4a11-a064-8a773c0492cc	Environmental → Ground → Unknown	EF 3.1	kg	2
0ee78271-a56c-402d-862d-163857d0cf58	Environmental → Water → Long-term	EF 3.1	kg	0
032f09bd-a2d1-4b01-965f-b33b9109c63b	Environmental → Water → Ocean	EF 3.1	kg	2
6ca916cf-728a-4ea0-bbe3-0abaab9ecd4c	Environmental → Water → Surface water	EF 3.1	kg	2
e600f524-ba25-460e-addd-d8880911031f	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "227-563-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=227-563-7"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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

N,n'-hexane-1,6-diylbis(2-oxoazepane-1-carboxamide)

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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