4-(N-Boc-N-methyl-aminomethyl)phenylboronic acid - CAS 1287753-35-8
Catalog: |
BB072424 |
Product Name: |
4-(N-Boc-N-methyl-aminomethyl)phenylboronic acid |
CAS: |
1287753-35-8 |
Synonyms: |
(4-(((tert-Butoxycarbonyl)(methyl)amino)methyl)phenyl)boronic acid; (4-{[(TERT-BUTOXYCARBONYL)(METHYL)AMINO]METHYL}PHENYL)BORONIC ACID; 4-(N-Boc-N-methyl-aminomethyl)phenylboronic acid; [4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]boronic acid; 4-(N-Boc-N-methyl-aminomethyl)-phenylboronic acid; [4-({[(tert-butoxy)carbonyl](methyl)amino}methyl)phenyl]boronic acid |
IUPAC Name: | [4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]boronic acid |
Description: | 4-(N-Boc-N-methyl-aminomethyl)phenylboronic acid |
Molecular Weight: | 265.11 |
Molecular Formula: | C13H20BNO4 |
Canonical SMILES: | B(C1=CC=C(C=C1)CN(C)C(=O)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C13H20BNO4/c1-13(2,3)19-12(16)15(4)9-10-5-7-11(8-6-10)14(17)18/h5-8,17-18H,9H2,1-4H3 |
InChI Key: | GHRFYNCASJLKQN-UHFFFAOYSA-N |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.1485383 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.1485383 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 70Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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