1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tributyl-(5-methoxypyrazin-2-yl)stannane

2.1.2 InChI

InChI=1S/C5H5N2O.3C4H9.Sn/c1-8-5-4-6-2-3-7-5;3*1-3-4-2;/h3-4H,1H3;3*1,3-4H2,2H3;

2.1.3 InChI Key

ICTSYFHDWYSWDM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC[Sn](CCCC)(CCCC)C1=NC=C(N=C1)OC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 619331-63-4

2.3 Create Date

2014-11-03

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₃₂N₂OSn
Molecular Weight	399.2 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	11
Exact Mass	400.153666 g/mol
Monoisotopic Mass	400.153666 g/mol
Topological Polar Surface Area	35 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	241
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

CAS 619331-63-4