4-tert-butylpyridine

4-(1,1-Dimethylethyl)pyridine
4-t-Butylpyridine
p-tert-Butylpyridine
Pyridine, 4-(1,1-dimethylethyl)-
Pyridine, 4-tert-butyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	YSHMQTRICHYLGF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
IUPAC name chemrof:IUPAC_name	4-tert-butylpyridine
Molecular formula chemrof:molecular_formula	C9H13N
Molecular mass chemrof:molecular_mass	135.21
Monoisotopic mass chemrof:monoisotopic_mass	135.104799
SMILES string chemrof:smiles_string	CC(C)(C)c1ccncc1

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=3978-81-2	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:195158	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.021.469	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID20192855	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5104	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IL8V02163I	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J124.330F	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/19878	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q10846092	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
9b0706cf-a9c6-47ef-94c3-eee3d3547d7f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
ff1c6ddf-04a4-49bd-a5e2-65d9550f4017	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
aeb1ee07-7510-48fb-aaff-3ac06161cbfd	Environmental → Air → Indoor	EF 3.1	kg	2
411c10d5-975a-435d-a9eb-1a91cd453f08	Environmental → Air → Long-term	EF 3.1	kg	0
69f86d9b-a719-4962-9fcb-34f006debacf	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
ee055c2a-dda4-4d34-ba71-9e0b9794a60a	Environmental → Air → Unknown	EF 3.1	kg	2
9c08c52b-6ce1-4f21-98c2-b9804095e948	Environmental → Ground → Agricultural	EF 3.1	kg	2
7b2365bd-4443-4976-a042-b8089fc00ced	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6cee7f76-cba2-4733-a9c3-0850975a1489	Environmental → Ground → Unknown	EF 3.1	kg	2
19bf66a1-cd45-4f5e-8fd5-415ebf7c1634	Environmental → Water → Long-term	EF 3.1	kg	0
99a162b9-bb86-46bc-8d03-7909d3f2686a	Environmental → Water → Ocean	EF 3.1	kg	2
2f80c7ac-e616-46f0-b3c9-14275148854c	Environmental → Water → Surface water	EF 3.1	kg	2
7a59c99a-b2ac-4db9-9c86-dd421df05a42	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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4-tert-butylpyridine

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

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