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Dibutyltin Maleate
CAS: 78-04-6 | C12H20O4Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
78-04-6
Molecular Formula:
C12H20O4Sn
Molecular Weight:
346.9989999999999 g/mol
Names and Synonyms:
Dibutyltin Maleate
Di-n-butyltin maleate
Neostann U 870
KS 100A
Plastistab 2808
N 2000E
Mark 2289
Stann RC 90C
Tinstab BM 360
Stann MMS 22A
ADK Stab BT 31
ADK Stab BT 53
T 501 (tin compound)
T 501
BM(N)
TVS-NK 220B
Stann RC 5R
Stanclere TM
TVS 86SP5
KS 4C
TN 1000
Mark BT 58
KK 3206
Stann BM(N)
Stann BM
OTS 227
Stann RC 71A
Mark 275
MA 300A
TN 3J
TVS-N 2000E
Stavinor Sn 1300
Stanclere T 157
Stann RC 40F
Irgastab T 150
Irgastab T 4
Mark BT 31
TVS-MA 300
KS 4B
Markure UL 2
Advastab T 340
Dibutylstannylene maleate
Stavinor 1300SN
Irgastab T 290
Nuodex V 1525
Advastab T 290
Advastab DBTM
Dibutyl(maleoyldioxy)tin
2,2-Dibutyl-1,3,2-dioxastannepin-4,7-dione
Dibutyltin maleate
1,3,2-Dioxastannepin-4,7-dione, 2,2-dibutyl-
Identifiers:
SMILES:
O=C([O-])C=CC(=O)[O-].[CH2]CCC.[CH2]CCC.[Sn+2]
InChI:
InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 347.00 g/mol | Legacy Database |
| cas-canonical-smile | O=C1O[Sn](OC(=O)C=C1)(CCCC)CCCC None | Legacy Database |
| cas-inchi | InChI=1S/C4H4O4.2C4H9.Sn/c5-3(6)1-2-4(7)8;2*1-3-4-2;/h1-2H,(H,5,6)(H,7,8);2*1,3-4H2,2H3;/q;;;+2/p-2 None | Legacy Database |
| cas-inchi-key | InChIKey=ZBBLRPRYYSJUCZ-UHFFFAOYSA-L None | Legacy Database |
| cas-melting-point | 125-135 °C None | Legacy Database |
| cas-name | Dibutyltin maleate None | Legacy Database |
| LogP | -0.09722000000000008 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 346.9989999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 348.03835382 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 17 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 80.25999999999999 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 65.43800000000003 | RDKit |
