CAS 723281-55-8 3-(Morpholine-4-carbonyl)phenylboronic acid (HCID 3602916)

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Basic information

CAS: 723281-55-8
Standard SMILES: O=C(c1cccc(B(O)O)c1)N1CCOCC1
InChIKey: DRZFURCXDFRZNR-UHFFFAOYSA-N
Molecular formula: C11H14BNO4
Average molar mass: 235.05 g/mol
Monoisotopic mass: 235.10158833

Names & identifiers

Preferred name: 3-(Morpholine-4-carbonyl)phenylboronic acid
IUPAC: [3-(morpholine-4-carbonyl)phenyl]boronic acid
English name: N-Morpholinyl 3-boronobenzamide
Molecular formula: C11H14BNO4
Molecular weight: 235.04

Names & synonyms

723281-55-83-(MORPHOLINE-4-CARBONYL)PHENYLBORONIC ACID[3-(morpholine-4-carbonyl)phenyl]boronic AcidN-MORPHOLINYL 3-BORONOBENZAMIDE(3-(morpholine-4-carbonyl)phenyl)boronic acid3-(Morpholine-4-carbonyl)benzeneboronic acidMFCD04115687[3-(4-morpholinylcarbonyl)phenyl]boronic acidBoronic acid, [3-(4-morpholinylcarbonyl)phenyl]-3-(morpholin-4-ylcarbonyl)phenylboronic acidSCHEMBL8123DTXSID90394061

Show more names

3-(Morpholine-4-carbonyl)4-(3-Boronobenzoyl)morpholine3-(Morpholine-4-carbonyl)benzeneboronic(3-boronophenyl)(morpholin-4-yl)methanone3-(Morpholine-4-carbonyl)phenylboronicaci3-(4-MORPHOLINYLCARBONYL)PHENYLBORONIC ACID[3-(morpholin-4-ylcarbonyl)phenyl]boronic acid

DRZFURCXDFRZNR-UHFFFAOYSA-NAKOS015855771AB20398PS-9546SY1099923-(morpholin-4-carbonyl)phenylboronic acidDB-010496CS-0060384

Properties

Computed structural properties

Topological polar surface area: 70 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 268

Physicochemical properties

Melting point: 124 · 124-130°C
Boiling point: 496.6 · 496.6±55.0 °C(Predicted)
Density: 1.3 · 1.30±0.1 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
pka: 8.03 · 8.03±0.10(Predicted)
form: solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant/Keep Cold
HS Code: 2934999090 · 2934999090