CAS 55406-53-6|Iodocarb|iodopropynyl butylcarbamate|3-Iodo-2-propynyl butylcarbamate|3-Iodo-2-propynyl <i>N</i>-butylcarbamate|Iodopropynyl butylcarbamate|3-iodoprop-2-yn-1-yl N-butylcarbamate|3-碘-...

General Information

Structure

Molecular Formula

C₈H₁₂INO₂

Molecular Mass

281.09085

Exact Mass

280.99127663

Charge

InChI

InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)

InChIKey

WYVVKGNFXHOCQV-UHFFFAOYSA-N

Canonic Smiles

CCCCNC(=O)OCC#CI

Isomeric Smiles

IC#CCOC(=O)NCCCC

Calculated Properties

JChem

Acid pKa

13.995671

H Acceptors

H Donor

LogD (pH = 5.5)

2.5439

LogD (pH = 7.4)

2.5439

Log P

2.5439

Molar Refractivity

54.8032

Polarizability

21.513823

Polar Surface Area

38.33

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Iodocarb3-Iodo-2-propynyl butylcarbamate3-Iodo-2-propynyl N-butylcarbamateIodopropynyl butylcarbamate3-Iodo-2-propynyl N-butylcarbamate3-碘-2-丙炔基-N-丁基氨基甲酸酯EcoboisN-Butylcarbamic Acid 3-Iodo-2-propyn-1-yl EsterCoatcide 123Biodocarb3-Iodo-2-propynyl N-ButylcarbamateActicide IPW 503-Iodopropargyl n-ButylcarbamateDekaben LMB3-Iodoprop-2-yn-1-yl butylcarbamate

IUPAC Traditional name

iodopropynyl butylcarbamate

IUPAC name

3-iodoprop-2-yn-1-yl N-butylcarbamate

Names and Identifiers

Registration numbers

CAS Number

55406-53-6

MDL Number

MFCD00072438

PubChem SID

24874236162222156