1H-1,4-diazepine, Hexahydro-1,4-dinitroso-

1,4-Dinitroso-[1,4]diazepane
Dinitrosohomopiperazine
Hexahydro-1,4-dinitroso-1H-1,4-diazepine

Property	Value
InChI2D key string chemrof:inchi2d_key_string	FUCMFBXWLUGVIZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H10N4O2/c10-6-8-2-1-3-9(7-11)5-4-8/h1-5H2
IUPAC name chemrof:IUPAC_name	1H-1,4-diazepine, Hexahydro-1,4-dinitroso-, 1h-1,4-diazepine, Hexahydro-1,4-dinitroso-
Molecular formula chemrof:molecular_formula	C5H10N4O2
Molecular mass chemrof:molecular_mass	158.161
Monoisotopic mass chemrof:monoisotopic_mass	158.080376
SMILES string chemrof:smiles_string	O=NN1CCCN(N=O)CC1

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=55557-00-1	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.383.685	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0020525	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164341	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FH496MRM5J	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J57.936J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/41473	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q63088199	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
682ec185-8b9a-4c7f-9a05-dc66427e33d1	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
34ebed0b-3ba7-4f51-9cca-12165a97f8db	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
4cf9bd95-9d8d-48c7-9a6c-7d1eae09f5a7	Environmental → Air → Indoor	EF 3.1	kg	2
e3cf0836-098b-4593-a16f-a0047afc4185	Environmental → Air → Long-term	EF 3.1	kg	0
bb414c60-43c0-48fc-b7fb-9dfe696b6767	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
099c06ee-5060-4df6-9575-c6161a8cd206	Environmental → Air → Unknown	EF 3.1	kg	2
4ff19b67-da3a-478c-8764-1feb06b1afd6	Environmental → Ground → Agricultural	EF 3.1	kg	2
1635ecbf-f713-41a5-9337-095f7899fb1f	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
37d5ed11-e9e3-4dfc-b86c-9ccd8e43cd81	Environmental → Ground → Unknown	EF 3.1	kg	2
f972becf-05d6-4593-b0bf-f3ee4a7dddaa	Environmental → Water → Long-term	EF 3.1	kg	0
3d393fa8-31e5-411a-94a1-797956baec33	Environmental → Water → Ocean	EF 3.1	kg	2
69b0c646-6f83-4565-90ea-744a94dab8aa	Environmental → Water → Surface water	EF 3.1	kg	2
b81c4c7d-8b27-4544-a291-9c3d61dbdc18	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (64 changes)

Open the changes page

Flow object JSON

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1H-1,4-diazepine, Hexahydro-1,4-dinitroso-

Identity

Structure

Alternative labels

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Known URLs

Elementary flows

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