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Iodopropynyl Butylcarbamate
CAS: 55406-53-6 | C8H12INO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 55406-53-6
- Molecular Formula
- C8H12INO2
- Molecular Mass
- 281.09 g/mol
Identifiers
CAS Registry Number
55406-53-6
SMILES
CCCCN=C(O)OCC#CI
InChI Key
WYVVKGNFXHOCQV-UHFFFAOYSA-N
InChI
InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)
Names and Synonyms
- Iodopropynyl Butylcarbamate Common Name
- Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester Synonym
- 3-Iodopropargyl n-butylcarbamate Synonym
- Biodocarb Synonym
- Omacide IPBC 100 Synonym
- Polyphase P 20T Synonym
- Troysan Polyphase AF 3 Synonym
- IBF 8DOP Synonym
- Acticide IPW 50 Synonym
- Dekaben LMB Synonym
- Polyphase 641 Synonym
- Mergal 710S Synonym
- IPBC 40 Synonym
- Omacide IPBC Synonym
- Iodocarb Synonym
- Polyphase P100 Synonym
- MP 100 Synonym
- Glycasil L Synonym
- Preventol MP 100 Synonym
- Ecobois Synonym
- Neomid 220 Synonym
- Fungitrol 720 Synonym
- Fungitrol 820 Synonym
- Polyphase CST Synonym
- Yotoru IP Synonym
- Fungitrol 920 Synonym
- Troysan Polyphase 60B Synonym
- Polyphase 60B Synonym
- Glycacil 2000 Synonym
- N-Butyl 3-iodo-2-propyn-1-yl carbamate Synonym
- Fungitrol F 10 Synonym
- Biodocarb L 30BDG Synonym
- Biodocarb L 15BDG Synonym
- Biodocarb L 20TEX Synonym
- Fungitrol 400 Synonym
- Troysan P 20T Synonym
- P 20T Synonym
- Preventol MP 260 Synonym
- Iodopropynyl butylcarbamate Synonym
- Timbertreat D Synonym
- IPBC 20 Synonym
- Acticide IPS 20 Synonym
- Nipacide IPBC 20 Synonym
- Denicide XR 5 Synonym
- Hokucide IPB Synonym
- Troysan Polyphase AF 1 Synonym
- Preventol MP 400 Synonym
- Polyphase P-20T Synonym
- Bioban I 20 Synonym
- Fungitrol 940 Synonym
- FL 10 Synonym
- 1-Iodoprop-1-yn-3-yl N-n-butylcarbamate Synonym
- Omacide IPBC 30 Synonym
- 3-Iodo-2-propynyl-butylcarbamate Synonym
- 3-Iodoprop-2-yn-1-yl N-butylcarbamate Synonym
- 3-Iodoprop-2-yn-1-yl butylcarbamate Synonym
- MX 3 Synonym
- Fungitrol C 450 Synonym
- Carbamic acid, butyl-, 3-iodo-2-propynyl ester Synonym
- Polyphase Synonym
- Guardsan 388 Synonym
- 3-Iodo-2-propynyl butylcarbamate Synonym
- Troysan Polyphase P 100 Synonym
- Troysan Polyphase WD 17 Synonym
- 3-Iodo-2-propynyl N-butylcarbamate Synonym
- IPBC Synonym
- Thompson's Wood Protector Synonym
- Polyphase AF 1 Synonym
- Coatcide 123 Synonym
- Glycacil Synonym
- Troysan Polyphase P 20T Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 281.09 g/mol | CAS Common Chemistry |
| 281.09299999999996 g/mol | RDKit | |
| 281.093 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iodopropynyl_butylcarbamate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC#CI)NCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=WYVVKGNFXHOCQV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Iodo-2-propynyl butylcarbamate | CAS Common Chemistry |
| Iodopropynyl butylcarbamate | CAS Common Chemistry | |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 41.82000000000001 Ų | RDKit |
| 41.82 Ų | RDKit | |
| LogP | 2.113 | RDKit |
| Molar Refractivity | 57.58680000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 280.99127662399997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
