1-Methyl-4-(tributylstannyl)-1H-pyrazole

Product Information

Molecular Formula:
C16H32N2Sn
Molecular Weight:
371.15
Description
1-Methyl-4-(tributylstannyl)-1H-pyrazole (CAS# 179055-21-1 ) is a useful research chemical.
Synonyms
tributyl-(1-methylpyrazol-4-yl)stannane
IUPAC Name
tributyl-(1-methylpyrazol-4-yl)stannane
Canonical SMILES
CCCC[Sn](CCCC)(CCCC)C1=CN(N=C1)C
InChI
InChI=1S/C4H5N2.3C4H9.Sn/c1-6-4-2-3-5-6;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;
InChI Key
LNECVNPGDBLIEM-UHFFFAOYSA-N
Boiling Point
126-128 °C
Flash Point
300.2 °F
Purity
97 %
Density
1.135 g/mL at 25 °C
Appearance
Colorless to orange liquid
Refractive Index
n20/D 1.563
LogP
4.06080

Safety Information

Hazards
H301-H312-H315-H319-H372-H410
Precautionary Statement
P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
Signal Word
Danger

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
10
Exact Mass
372.158752 g/mol
Monoisotopic Mass
372.158752 g/mol
Topological Polar Surface Area
17.8Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
211
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2020239951-A1 Amino quinazoline derivatives as p2x3 inhibitors 2019-05-31
AU-2020281923-A1 Amino quinazoline derivatives as P2X3 inhibitors 2019-05-31
KR-20220016498-A Aminoquinazoline derivatives as P2X3 inhibitors 2019-05-31
AU-2014295538-A1 Substituted quinazolin-4-one derivatives 2013-07-24
AU-2014295538-B2 Substituted quinazolin-4-one derivatives 2013-07-24
EA-031430-B1 SUBSTITUTED HINAZOLIN-4-SHE DERIVATIVES 2013-07-24
EP-3024827-A1 Substituted quinazolin-4-one derivatives 2013-07-24
EP-3024827-B1 Substituted quinazolin-4-one derivatives 2013-07-24
TW-201534598-A Substituted quinazolin-4-one derivative 2013-07-24
US-2016168131-A1 Substituted Quinazolin-4-one Derivatives 2013-07-24
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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