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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
Troysan Polyphase AF 1
Hokucide IPB
Denicide XR 5
Nipacide IPBC 20
Acticide IPS 20
IPBC 20
Timbertreat D
Iodopropynyl butylcarbamate
Preventol MP 260
P 20T
Troysan P 20T
Fungitrol 400
Biodocarb L 20TEX
Biodocarb L 15BDG
Biodocarb L 30BDG
Fungitrol F 10
N-Butyl 3-iodo-2-propyn-1-yl carbamate
Glycacil 2000
Polyphase 60B
Troysan Polyphase 60B
Fungitrol 920
Yotoru IP
Polyphase CST
Fungitrol 820
Fungitrol 720
Neomid 220
Ecobois
Preventol MP 100
Glycasil L
MP 100
Polyphase P100
Iodocarb
Omacide IPBC
IPBC 40
Mergal 710S
Polyphase 641
Dekaben LMB
Acticide IPW 50
IBF 8DOP
Troysan Polyphase AF 3
Polyphase P 20T
Omacide IPBC 100
Biodocarb
3-Iodopropargyl n-butylcarbamate
Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester
Troysan Polyphase P 20T
Glycacil
Coatcide 123
Polyphase AF 1
Thompson's Wood Protector
IPBC
3-Iodo-2-propynyl N-butylcarbamate
Troysan Polyphase WD 17
Troysan Polyphase P 100
3-Iodo-2-propynyl butylcarbamate
Guardsan 388
Polyphase
Carbamic acid, butyl-, 3-iodo-2-propynyl ester
Fungitrol C 450
MX 3
3-Iodoprop-2-yn-1-yl butylcarbamate
3-Iodoprop-2-yn-1-yl N-butylcarbamate
3-Iodo-2-propynyl-butylcarbamate
Omacide IPBC 30
1-Iodoprop-1-yn-3-yl N-n-butylcarbamate
FL 10
Fungitrol 940
Bioban I 20
Polyphase P-20T
Preventol MP 400
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 2.113 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 57.58680000000002 | RDKit |
