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(4-methylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

(4-methylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone structure

CAS No:
883738-38-3
Formula:
C18H27BN2O3
Chemical Name:
(4-methylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
Synonyms:
AMTB046; 3-(4-methylpiperazine-1-carbonyl)phenylboronic acid,pinacol ester; (4-Methylpiperazin-1-yl)(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone; n-(4-methylpiperazine)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzamide; n-(4-methylpiperazine)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 3-(4-Methyl-1-piperazinylcarbonyl)benzeneboronic acid pinacol ester;Expand

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(4-methylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone Basic Attributes

Molecular Weight：

330.23000

Exact Mass：

330.2114729

DSSTox ID：

DTXSID00374995

Characteristics

PSA：

42.01000

XLogP3：

1.24920

Density：

1.12g/cm3

Melting Point：

86-89ºC

Boiling Point：

472.3ºC

Flash Point：

239.4ºC

Refractive Index：

1.547

Safety Information

GHS Classification：

|Warning|H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:330.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:330.2114729
Monoisotopic Mass:330.2114729
Topological Polar Surface Area:42
Heavy Atom Count:24
Complexity:459
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4-methylpiperazin-1-yl)-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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