4-(3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)morpholine

HCID 4649072

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Basic information

CAS: 910462-33-8
Standard SMILES: CC1(C)OB(c2ccc(OCCCN3CCOCC3)cc2)OC1(C)C
InChIKey: CNKVMMVQJAQTCV-UHFFFAOYSA-N
Molecular formula: C19H30BNO4
Average molar mass: 347.3 g/mol
Monoisotopic mass: 347.2267886

Names & identifiers

Preferred name: 4-(3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)morpholine
IUPAC: 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]morpholine
English name: 4-(3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)morpholine
Molecular formula: C19H30BNO4
Molecular weight: 347.26

Names & synonyms

910462-33-84-(3-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)morpholine4-(3-Morpholinopropoxy)phenylboronic acid, pinacol esterMFCD044408584-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]morpholine4-{3-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl}morpholine4-(3-Morpholin-4-ylpropoxy)benzeneboronic acid, pinacol ester4-(3-Morpholinopropoxy)phenylboronic acid pinacol esterSCHEMBL701173F1393-0014DTXSID40405237CNKVMMVQJAQTCV-UHFFFAOYSA-N

Show more names

4-(3-Morpholin-4-ylpropoxy)benzeneboronicacid,pinacolester98%Morpholine, 4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]propyl]-

AKOS016001016BS-29692CS-0174588VU0489199-1D93584F2173764-{3-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxy]-propyl}-morpholine4-{3-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenoxy]propyl}morpholine

Database identifiers

CAS: 910462-33-8
PubChem CID: 4649072
DTXSID: DTXSID40405237

Properties

Computed structural properties

Topological polar surface area: 40.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 6
Heavy atoms: 25
Formal charge: 0
Complexity: 402

Physicochemical properties

Boiling point: 474.7 · 474.7±40.0 °C(Predicted)
Density: 1.09 · 1.09±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 7.13 · 7.13±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 2934999090 · 2934999090

Safety & regulation

Safety data

hs_code: 2934999090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501