2-amino-2,3-dimethylbutanenitrile

(±)-2-Amino-2,3-dimethylbutyronitrile
(±)-2-Amino-2-cyano-3-methylbutane
2-Amino-2,3-dimethylbutyronitrile
Butanenitrile, 2-amino-2,3-dimethyl-
Butyronitrile, 2-amino-2,3-dimethyl-

Property	Value
InChI2D key string chemrof:inchi2d_key_string	CAOHBROWLMCZRP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6H12N2/c1-5(2)6(3,8)4-7/h5H,8H2,1-3H3
IUPAC name chemrof:IUPAC_name	2-amino-2,3-dimethylbutanenitrile
Molecular formula chemrof:molecular_formula	C6H12N2
Molecular mass chemrof:molecular_mass	112.176
Monoisotopic mass chemrof:monoisotopic_mass	112.100048
SMILES string chemrof:smiles_string	CC(C)C(C)(N)C#N

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=13893-53-3	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.132.237	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID2027759	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182303	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/05V56HJZ5F	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.581.747J	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/94355	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27236143	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
cc36fdb8-08f6-46a1-b463-4c5f74901a77	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
7227e633-1661-430b-848b-f7c4b5f3bff4	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
a4ddf7f5-0f92-4bba-8274-37f6087ba095	Environmental → Air → Indoor	EF 3.1	kg	2
d1d3441a-8eb5-4295-a593-f7feb92ab0ae	Environmental → Air → Long-term	EF 3.1	kg	0
8950eeaa-4053-46cc-8ac7-b3cf0c1fd657	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
e90e698a-df39-467d-b888-b6c79716040e	Environmental → Air → Unknown	EF 3.1	kg	2
2679c1c2-c10a-4235-9092-b4ddfc3231f5	Environmental → Ground → Agricultural	EF 3.1	kg	2
775506d9-7aec-47ca-acbe-97369cc31269	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
0749d50f-7426-457b-8969-46652bffac28	Environmental → Ground → Unknown	EF 3.1	kg	2
75ef50d2-9201-42fb-8110-fd8ea800a77b	Environmental → Water → Long-term	EF 3.1	kg	0
a207a197-17d7-43d2-860b-62b49fdfc7a9	Environmental → Water → Ocean	EF 3.1	kg	2
79f08bef-188e-48ae-838c-60a6905babfb	Environmental → Water → Surface water	EF 3.1	kg	2
0660be77-0c52-4618-bbbe-f0110a5e5b45	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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2-amino-2,3-dimethylbutanenitrile

Identity

Structure

Alternative labels

Properties

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Elementary flows

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