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Methyl 1-(nitromethyl)cyclohexyl-acetate-[d4]

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General Information
Catalog: BLP-006154
CAS: 1246815-71-3
Molecular Formula: C10H13D4NO4
Molecular Weight: 219.27

Chemical Structure

Description	Methyl 1-(nitromethyl)cyclohexyl-acetate-[d4] is the labelled analogue of Methyl 1-(nitromethyl)cyclohexyl-acetate, which is an intermediate in the preparation of Gabapentin.
Synonyms	1-(Nitromethyl)cyclohexaneacetic Acid-d4 Methyl Ester; methyl 1-(nitromethyl)cyclohexyl-acetate-d4; Methyl 2-[1-(nitromethyl)cyclohexyl]acetate-d4
IUPAC Name	methyl 2,2-dideuterio-2-[1-[dideuterio(nitro)methyl]cyclohexyl]acetate
Related CAS	112777-75-0 (unlabelled)
Canonical SMILES	COC(=O)CC1(CCCCC1)C[N+](=O)[O-]
InChI	InChI=1S/C10H17NO4/c1-15-9(12)7-10(8-11(13)14)5-3-2-4-6-10/h2-8H2,1H3/i7D2,8D2
InChI Key	PYFQWDMBAIDELB-OSEHSPPNSA-N
Solubility	Soluble in Dichloromethane, Ethyl Acetate
Appearance	Clear Liquid
Storage	Store at 2-8°C