2-Butoxyethanol-1,1,2,2-d4

Catalog	DGS1219803969
CAS	1219803-96-9
Structure
Synonyms	2-Butoxyethanol-[1,1,2,2-D4]
IUPAC Name	2-butoxy-1,1,2,2-tetradeuterioethanol
Molecular Weight	122.20
Molecular Formula	C6H10D4O2
InChI	InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3/i4D2,6D2
InChI Key	POAOYUHQDCAZBD-WVTKESLNSA-N
Purity	99 atom % D
Complexity	37.5
Exact Mass	122.124486669
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])OCCCC)O
Isotopic Enrichment	99 atom % D
Monoisotopic Mass	122.124486669
Rotatable Bond Count	5
Stability	Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
Storage Conditions	Room temperature
Topological Polar Surface Area	29.5 Ų
Unlabeled CAS	111-76-2