CAS 72469-41-1|Lead ionophore I|ETH 332|2-{2-[(dioctadecylcarbamoyl)methoxy]ethoxy}-N,N-dipropylacetamide|N,N-双十八烷基-N′,N′-二丙基-3,6-二氧杂辛二酰胺|ETH 322|铅离子载体 I|2-{2-[(dioctadecylcarb...

Molecular Formula

C₄₈H₉₆N₂O₄

Molecular Mass

765.28684

Exact Mass

764.73700956

InChI

InChI=1S/C48H96N2O4/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-41-50(48(52)46-54-44-43-53-45-47(51)49(39-7-3)40-8-4)42-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-46H2,1-4H3

InChIKey

UKLVPVPGVSSSIB-UHFFFAOYSA-N

Canonic Smiles

CCCN(C(=O)COCCOCC(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCC

Isomeric Smiles

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)COCCOCC(=O)N(CCC)CCC

JChem

Acid pKa

19.519087

H Acceptors

H Donor

LogD (pH = 5.5)

15.168741

LogD (pH = 7.4)

15.168741

Log P

15.168741

Molar Refractivity

234.5768

Polarizability

92.97861

Polar Surface Area

59.08

Rotatable Bonds

Lipinski's Rule of Five

false

Commercial Catalog

Academic Data

Synonyms

Lead ionophore IETH 332N,N-双十八烷基-N′,N′-二丙基-3,6-二氧杂辛二酰胺ETH 322铅离子载体 IN,N-Dioctadecyl-N′,N′-dipropyl-3,6-dioxaoctanediamide

IUPAC Traditional name

2-{2-[(dioctadecylcarbamoyl)methoxy]ethoxy}-N,N-dipropylacetamide

IUPAC name

2-{2-[(dioctadecylcarbamoyl)methoxy]ethoxy}-N,N-dipropylacetamide

Beilstein Number

CAS Number

MDL Number

PubChem SID

GHS Pictograms

Hazardous to the aquatic environment

Acute hazard, category1

Chronic hazard, categories 1,2

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

European Hazard Symbols

Nature polluting (N)

Harmful (Xn)

Flammable (F)

German water hazard class

UN Number

1206

Packing Group

GHS Signal Word

Danger

Storage Temperature

2-8°C

RID/ADR

UN 1206 3/PG 2

Risk Statements

11-38-50/53-65-67

Hazard Class

GHS Hazard statements

H225-H304-H315-H336-H410

GHS Precautionary statements

P210-P261-P273-P301+P310-P331-P501

Safety Statements

16-61-62

9-16-23-24/25-33

MSDS Link

Download link

Physical Property

Flash Point

-4 °C

24.8 °F

25 °F

Product Information

Grade

Selectophore™

Empirical Formula (Hill Notation)

C48H96N2O4

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

15333

General description
Visit our Sensor Applications portal to learn more.
Other Notes
Selective, lipophilic ionophore for lead used in solvent polymeric membrane electrodes1
Physical form
solution in 0.5 mL heptane
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH

No Data Available

Click here to submit data