Phenylboronic acid N-butyldiethanolamine ester

Name: Phenylboronic acid N-butyldiethanolamine ester
SKU: ACM84549451
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Catalog NumberACM84549451

CAS Number84549-45-1

CategorySalt

IUPAC Name

6-butyl-2-phenyl-1,3,6,2-dioxazaborocane

Molecular Weight

247.14g/mol

Molecular Formula

C14H22BNO2

Canonical SMILES

B1(OCCN(CCO1)CCCC)C2=CC=CC=C2

InChI

InChI=1S/C14H22BNO2/c1-2-3-9-16-10-12-17-15(18-13-11-16)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3

InChI Key

XBJLGTGASXIEFZ-UHFFFAOYSA-N

Complexity

212

Covalently-Bonded Unit Count

Exact Mass

247.174359g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

247.174359g/mol

Rotatable Bond Count

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