1-butyl-1-nitrosourea

N-Butyl-N-nitrosourea
N-n-Butyl-N-nitrosourea
N-Nitroso-N-butylurea
N-Nitroso-N-n-butylurea
Urea, 1-butyl-1-nitroso-
Urea, N-butyl-N-nitroso-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	LSWOCDLIYSKTRX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C5H11N3O2/c1-2-3-4-8(7-10)5(6)9/h2-4H2,1H3,(H2,6,9)
IUPAC name chemrof:IUPAC_name	1-butyl-1-nitrosourea
Molecular formula chemrof:molecular_formula	C5H11N3O2
Molecular mass chemrof:molecular_mass	145.162
Monoisotopic mass chemrof:monoisotopic_mass	145.085127
SMILES string chemrof:smiles_string	CCCCN(N=O)C(N)=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=869-01-2	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2020214	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=45639	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/77IB43T49K	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0243841	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.343J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/13362	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27266585	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
c4830e42-47e5-442e-b100-3c77b6b9ce25	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
9fb9fbc4-983d-4f0d-9c28-7c10da6c1554	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
6290984c-491f-4dbc-926a-1cd6b56001d0	Environmental → Air → Indoor	EF 3.1	kg	2
a007d676-7a6b-453c-bcd5-e86b0dca9a33	Environmental → Air → Long-term	EF 3.1	kg	0
995114ed-6934-44bb-8581-62d30bfa6f0c	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
f8f08d07-9431-4779-8614-22a0182d9b99	Environmental → Air → Unknown	EF 3.1	kg	2
2f023118-afc7-49d3-8b46-50df5b285d94	Environmental → Ground → Agricultural	EF 3.1	kg	2
7dbdf1cc-5d57-4cf7-9859-1d6e9bda35d8	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
14044dbf-cf03-49e2-ae74-d9780d200f06	Environmental → Ground → Unknown	EF 3.1	kg	2
d9bd7091-eef7-49da-857a-1a018dd94582	Environmental → Water → Long-term	EF 3.1	kg	0
beef39fa-abac-4dd6-947b-8e3947d634ae	Environmental → Water → Ocean	EF 3.1	kg	2
19137f19-3110-40a2-b11b-30b4bab7b8c5	Environmental → Water → Surface water	EF 3.1	kg	2
da206f88-9b6c-4758-bd5c-c2ae13f8f914	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

Open the changes page

Flow object JSON

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}

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1-butyl-1-nitrosourea

Identity

Structure

Alternative labels

Properties

Known URLs

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