2-[(Boc-amino)methyl]phenylboronic Acid - CAS 433969-27-8
Catalog: |
BB025401 |
Product Name: |
2-[(Boc-amino)methyl]phenylboronic Acid |
CAS: |
433969-27-8 |
Synonyms: |
[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]boronic acid; [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid |
IUPAC Name: | [2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]boronic acid |
Description: | 2-[(Boc-amino)methyl]phenylboronic Acid (CAS# 433969-27-8) is a useful research chemical. |
Molecular Weight: | 251.09 |
Molecular Formula: | C12H18NO4B |
Canonical SMILES: | B(C1=CC=CC=C1CNC(=O)OC(C)(C)C)(O)O |
InChI: | InChI=1S/C12H18BNO4/c1-12(2,3)18-11(15)14-8-9-6-4-5-7-10(9)13(16)17/h4-7,16-17H,8H2,1-3H3,(H,14,15) |
InChI Key: | NVCGSIBAXVRMLU-UHFFFAOYSA-N |
MDL: | MFCD05663974 |
LogP: | 0.78200 |
Publication Number | Title | Priority Date |
CA-3056970-A1 | 2-methyl-quinazolines | 20170321 |
AU-2017304761-A1 | Pharmaceutical compounds | 20160726 |
JP-2019523266-A | Pharmaceutical compounds | 20160726 |
US-2019233394-A1 | Pharmaceutical compounds | 20160726 |
US-11053213-B2 | Pharmaceutical compounds | 20160726 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.1328882 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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