94333-37-6 Purity
96%
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Specification
The molecular formula is C10H21NO.
The molecular weight is 171.28 g/mol.
The IUPAC name is N,2-diethyl-3-methylpentanamide.
The InChI is InChI=1S/C10H21NO/c1-5-8(4)9(6-2)10(12)11-7-3/h8-9H,5-7H2,1-4H3,(H,11,12).
The InChIKey is GXTTUHOVBQMJLW-UHFFFAOYSA-N.
The Canonical SMILES is CCC(C)C(CC)C(=O)NCC.
The XLogP3-AA value is 2.6.
There is one hydrogen bond donor count.
There are five rotatable bond counts.
Yes, the compound is canonicalized.
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