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3-Ethynylaniline-[d4]

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General Information
Catalog: BLP-002724
CAS: 1794883-73-0
Molecular Formula: C8H3D4N
Molecular Weight: 121.17

Chemical Structure

Description	3-Ethynylaniline-[d4] is the labelled analogue of 3-Ethynylaniline, which is a metabolite of Erlotinib. Erlotinib is a tyrosine kinase inhibitor which acts on the epidermal growth factor receptor (EGFR), inhibiting EGFR-associated kinase activity.
Synonyms	3-Ethynylaniline D4; (3-Ethynylphenyl)amine-d4; (m-Aminophenyl)acetylene-d4; 1-Amino-3-ethynylbenzene-d4; 3-Acetylenylaniline-d4; 3-Amino-1-ethynylbenzene-d4; 3-Ethynylaniline-d4; 3-Ethynylbenzenamine-d4; m-Ethynylaniline-d4
IUPAC Name	2,3,4,6-tetradeuterio-5-ethynylaniline
Related CAS	54060-30-9 (unlabelled)
Canonical SMILES	C#CC1=CC(=CC=C1)N
InChI	InChI=1S/C8H7N/c1-2-7-4-3-5-8(9)6-7/h1,3-6H,9H2/i3D,4D,5D,6D
InChI Key	NNKQLUVBPJEUOR-LNFUJOGGSA-N
Solubility	Soluble in Chloroform, Ethyl Acetate