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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 Weight:
281.09299999999996 g/mol
Names and Synonyms:
Iodopropynyl Butylcarbamate
Common Name
Troysan Polyphase AF 1
Synonym
Hokucide IPB
Synonym
Denicide XR 5
Synonym
Nipacide IPBC 20
Synonym
Acticide IPS 20
Synonym
IPBC 20
Synonym
Timbertreat D
Synonym
Iodopropynyl butylcarbamate
Synonym
Preventol MP 260
Synonym
P 20T
Synonym
Troysan P 20T
Synonym
Fungitrol 400
Synonym
Biodocarb L 20TEX
Synonym
Biodocarb L 15BDG
Synonym
Biodocarb L 30BDG
Synonym
Fungitrol F 10
Synonym
N-Butyl 3-iodo-2-propyn-1-yl carbamate
Synonym
Glycacil 2000
Synonym
Polyphase 60B
Synonym
Troysan Polyphase 60B
Synonym
Fungitrol 920
Synonym
Yotoru IP
Synonym
Polyphase CST
Synonym
Fungitrol 820
Synonym
Fungitrol 720
Synonym
Neomid 220
Synonym
Ecobois
Synonym
Preventol MP 100
Synonym
Glycasil L
Synonym
MP 100
Synonym
Polyphase P100
Synonym
Iodocarb
Synonym
Omacide IPBC
Synonym
IPBC 40
Synonym
Mergal 710S
Synonym
Polyphase 641
Synonym
Dekaben LMB
Synonym
Acticide IPW 50
Synonym
IBF 8DOP
Synonym
Troysan Polyphase AF 3
Synonym
Polyphase P 20T
Synonym
Omacide IPBC 100
Synonym
Biodocarb
Synonym
3-Iodopropargyl n-butylcarbamate
Synonym
Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester
Synonym
Troysan Polyphase P 20T
Synonym
Glycacil
Synonym
Coatcide 123
Synonym
Polyphase AF 1
Synonym
Thompson's Wood Protector
Synonym
IPBC
Synonym
3-Iodo-2-propynyl N-butylcarbamate
Synonym
Troysan Polyphase WD 17
Synonym
Troysan Polyphase P 100
Synonym
3-Iodo-2-propynyl butylcarbamate
Synonym
Guardsan 388
Synonym
Polyphase
Synonym
Carbamic acid, butyl-, 3-iodo-2-propynyl ester
Synonym
Fungitrol C 450
Synonym
MX 3
Synonym
3-Iodoprop-2-yn-1-yl butylcarbamate
Synonym
3-Iodoprop-2-yn-1-yl N-butylcarbamate
Synonym
3-Iodo-2-propynyl-butylcarbamate
Synonym
Omacide IPBC 30
Synonym
1-Iodoprop-1-yn-3-yl N-n-butylcarbamate
Synonym
FL 10
Synonym
Fungitrol 940
Synonym
Bioban I 20
Synonym
Polyphase P-20T
Synonym
Preventol MP 400
Synonym
Identifiers:
SMILES:
CCCCN=C(O)OCC#CI
InChI:
InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 281.09299999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 280.99127662399997 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 12 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 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 | 41.82000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.113 | RDKit |
| molecular_mass | 281.09 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Iodopropynyl_butylcarbamate None | Legacy Database |
| cas-canonical-smile | O=C(OCC#CI)NCCCC None | Legacy Database |
| cas-inchi | InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11) None | Legacy Database |
| cas-inchi-key | InChIKey=WYVVKGNFXHOCQV-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 3-Iodo-2-propynyl butylcarbamate None | Legacy Database |
| wikipedia-name | Iodopropynyl butylcarbamate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 57.58680000000002 | RDKit |