N,n-dibutyl-n-methylbutan-1-aminium Chloride

1-Butanaminium, N,N-dibutyl-N-methyl-, chloride
1-Butanaminium, N,N-dibutyl-N-methyl-, chloride (1:1)
Methyltributylammonium chloride
N-Methyl-N,N,N-tributylammonium chloride
Tributylmethylammonium chloride

Property	Value
InChI2D key string chemrof:inchi2d_key_string	IPILPUZVTYHGIL-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string	InChI=1S/C13H30N.ClH/c1-5-8-11-14(4,12-9-6-2)13-10-7-3;/h5-13H2,1-4H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name	1-Butanaminium, N,N-dibutyl-N-methyl-, chloride
Molecular formula chemrof:molecular_formula	C13H30ClN
Molecular mass chemrof:molecular_mass	235.843
Monoisotopic mass chemrof:monoisotopic_mass	235.206678
SMILES string chemrof:smiles_string	CCCC[N+](C)(CCCC)CCCC.[Cl-]

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=56375-79-2	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.054.651	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID5044443	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3181897	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/AZ0B34ME3U	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/91822	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27274198	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
aa1a325f-84a8-40c9-badc-28c62270d98a	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
67189170-da70-4287-8019-a7c4ecd519bb	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
96c75ff3-caa1-4d1f-8d26-9e2d500fd9e5	Environmental → Air → Indoor	EF 3.1	kg	2
5f3a8bd4-49a8-42ee-af9c-e70b9e6f5549	Environmental → Air → Long-term	EF 3.1	kg	0
e7a26867-6ea6-4f44-9520-149f10d10a4e	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
4ec017ee-751f-4c6a-818e-21d132799a97	Environmental → Air → Unknown	EF 3.1	kg	2
bc63bdd2-8586-492f-bd0c-a012967c3105	Environmental → Ground → Agricultural	EF 3.1	kg	2
84fc6162-d909-4bc6-9133-8c51c0c1266d	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
64c1444a-bf5c-47cf-a7bb-6539042c75a9	Environmental → Ground → Unknown	EF 3.1	kg	2
dc9dd4a4-ab56-47d9-b53a-1ef8424560f6	Environmental → Water → Long-term	EF 3.1	kg	0
f3c72026-6ce7-4610-a04b-154354d16a36	Environmental → Water → Ocean	EF 3.1	kg	2
9123c1b8-dfe4-42eb-a399-366fd98a83c4	Environmental → Water → Surface water	EF 3.1	kg	2
93ded43e-673c-4d86-a01e-324b0b0298f1	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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N,n-dibutyl-n-methylbutan-1-aminium Chloride

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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