Back to Search
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
Names and Synonyms:
Iodopropynyl Butylcarbamate
Carbamic acid, N-butyl-, 3-iodo-2-propyn-1-yl ester
3-Iodopropargyl n-butylcarbamate
Biodocarb
Omacide IPBC 100
Polyphase P 20T
Troysan Polyphase AF 3
IBF 8DOP
Acticide IPW 50
Dekaben LMB
Polyphase 641
Mergal 710S
IPBC 40
Omacide IPBC
Iodocarb
Polyphase P100
MP 100
Glycasil L
Preventol MP 100
Ecobois
Neomid 220
Fungitrol 720
Fungitrol 820
Polyphase CST
Yotoru IP
Fungitrol 920
Troysan Polyphase 60B
Polyphase 60B
Glycacil 2000
N-Butyl 3-iodo-2-propyn-1-yl carbamate
Fungitrol F 10
Biodocarb L 30BDG
Biodocarb L 15BDG
Biodocarb L 20TEX
Fungitrol 400
Troysan P 20T
P 20T
Preventol MP 260
Iodopropynyl butylcarbamate
Timbertreat D
IPBC 20
Acticide IPS 20
Nipacide IPBC 20
Denicide XR 5
Hokucide IPB
Troysan Polyphase AF 1
Preventol MP 400
Polyphase P-20T
Bioban I 20
Fungitrol 940
FL 10
1-Iodoprop-1-yn-3-yl N-n-butylcarbamate
Omacide IPBC 30
3-Iodo-2-propynyl-butylcarbamate
3-Iodoprop-2-yn-1-yl N-butylcarbamate
3-Iodoprop-2-yn-1-yl butylcarbamate
MX 3
Fungitrol C 450
Carbamic acid, butyl-, 3-iodo-2-propynyl ester
Polyphase
Guardsan 388
3-Iodo-2-propynyl butylcarbamate
Troysan Polyphase P 100
Troysan Polyphase WD 17
3-Iodo-2-propynyl N-butylcarbamate
IPBC
Thompson's Wood Protector
Polyphase AF 1
Coatcide 123
Glycacil
Troysan Polyphase P 20T
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 281.09 g/mol | CAS Common Chemistry |
| 281.09299999999996 g/mol | RDKit | |
| 280.99127662399997 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 |
| LogP | 2.113 | RDKit |
| Molar Refractivity | 57.58680000000002 | RDKit |
