CAS 690636-28-3 4-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol ester (HCID 4625910)

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Basic information

CAS: 690636-28-3
Standard SMILES: CC1(C)OB(c2ccc(OCCN3CCOCC3)cc2)OC1(C)C
InChIKey: ZHMKOJLQGMTKKB-UHFFFAOYSA-N
Molecular formula: C18H28BNO4
Average molar mass: 333.2 g/mol
Monoisotopic mass: 333.21113878

Names & identifiers

Preferred name: 4-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol ester
IUPAC: 4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine
English name: 4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-MORPHOLINE
Molecular formula: C19H29BN2O4
Molecular weight: 360.26

Names & synonyms

690636-28-34-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol esterRefChem:512684689-111-94-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethyl)morpholineMFCD044408574-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]morpholine4-(2-Morpholinoethoxy)phenylboronic acid, pinacol4-{2-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl}morpholineDTXSID709999924-{2-[4-(4,4,5,5-Tetramethyl[1,3,2]dioxaborolan-2-yl) phenoxy]ethyl}morpholine4-(2-(4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-phenoxy)ethyl)morpholine

Show more names

n-(2-Morpholinoethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide4-(2-Morpholinoethylcarbamoyl)benzeneboronic acid pinacol ester4-(2-Morpholin-4-ylethoxy)benzeneboronic acid, pinacol ester 97%N-[2-(Morpholin-4-yl)ethyl]-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide4-(2-[4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PHENOXY]-ETHYL)-MORPHOLINE

Properties

Computed structural properties

Topological polar surface area: 40.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 388

Physicochemical properties

Boiling point: 526.5 · 526.5±45.0 °C(Predicted)
Density: 1.13 · 1.13±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 14.5 · 14.50±0.46(Predicted)
Appearance: White to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.