3-(Aminomethyl)phenylboronic Acid Pinacol Ester Hydrochloride - CAS 380430-65-9
Catalog: |
BB023513 |
Product Name: |
3-(Aminomethyl)phenylboronic Acid Pinacol Ester Hydrochloride |
CAS: |
380430-65-9 |
Synonyms: |
[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride; [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride |
IUPAC Name: | [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine;hydrochloride |
Description: | 3-(Aminomethyl)phenylboronic Acid Pinacol Ester Hydrochloride (CAS# 380430-65-9) is a useful research chemical. |
Molecular Weight: | 269.58 |
Molecular Formula: | C13H21ClNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CN.Cl |
InChI: | InChI=1S/C13H20BNO2.ClH/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15;/h5-8H,9,15H2,1-4H3;1H |
InChI Key: | BZZYJHQGJDCCCZ-UHFFFAOYSA-N |
Boiling Point: | 352.5 °C at 760 mmHg |
Melting Point: | 188.3 °C |
Flash Point: | Not applicable |
Purity: | 97 % |
Appearance: | Solid |
Storage: | 2-8 °C |
MDL: | MFCD03410294 |
LogP: | 2.94680 |
GHS Hazard Statement: | H315 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.1353868 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.1353868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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