5-(Aminomethyl)-2-methylphenylboronic Acid Pinacol Ester - CAS 1011460-69-7
Catalog: |
BB000452 |
Product Name: |
5-(Aminomethyl)-2-methylphenylboronic Acid Pinacol Ester |
CAS: |
1011460-69-7 |
Synonyms: |
[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine; [4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine |
IUPAC Name: | [4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine |
Description: | 5-(Aminomethyl)-2-methylphenylboronic Acid Pinacol Ester (CAS# 1011460-69-7 ) is a useful research chemical. |
Molecular Weight: | 247.14 |
Molecular Formula: | C14H22NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)CN)C |
InChI: | InChI=1S/C14H22BNO2/c1-10-6-7-11(9-16)8-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,9,16H2,1-5H3 |
InChI Key: | DYSAVNQPEUGNIH-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 247.1743591 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 247.1743591 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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