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Structure

2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester

CAS
918643-56-8
Catalog Number
ACM918643568
Category
Other Products
Molecular Weight
306.21
Molecular Formula
C16H27BN2O3

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Specification

Synonyms
918643-56-8, 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid, pinacol ester, 6-(3-N,N-Dimethylamino-propoxy)pyridine-3-boronic acid pinacol ester, N,N-Dimethyl-3-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)propan-1-amine, N,N-dimethyl-3-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yloxy)propan-1-amine, DIMETHYL-(3-[5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-PYRIDIN-2-YLOXY]-PROPYL)-AMINE, Dimethyl-{3-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyridin-2-yloxy]-propyl}-amine, AGN-PC-01NOTI, SureCN306428, CTK8B3387, MolPort-002-054-940, ANW-42446, RW2916, AKOS015950049, AB29746, QC-2337, RL05791, AK-92949, KB-56677, B-4844
IUPAC Name
N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxypropan-1-amine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCCCN(C)C
InChI Key
QWJUJXPYTLOKRL-UHFFFAOYSA-N
Boiling Point
406.5ºC at 760 mmHg
Flash Point
199.7ºC
Density
1.04g/cm³
Exact Mass
306.21100
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester?

The molecular formula is C16H27BN2O3.

What are the synonyms for 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester?

The synonyms include N,N-Dimethyl-3-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)propan-1-amine, and 6-(3-N,N-Dimethylamino-propoxy)pyridine-3-boronic acid pinacol ester.

What is the molecular weight of 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester?

The molecular weight is 306.2 g/mol.

What is the IUPAC name of 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester?

The IUPAC name is N,N-dimethyl-3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxypropan-1-amine.

What is the InChIKey of 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester?

The InChIKey is QWJUJXPYTLOKRL-UHFFFAOYSA-N.

What is the Canonical SMILES of 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCCCN(C)C.

How many hydrogen bond donor counts are there in 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester?

There are 0 hydrogen bond donor counts.

What is the topological polar surface area of 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester?

The topological polar surface area is 43.8 Ų.

Is 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound.

What is the formal charge of 2-(3-N,N-Dimethylamino-propoxy)pyridine-5-boronic acid pinacol ester?

The formal charge is 0.

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