N~4~-(7-Chloro-4-quinolinyl)-N~1~,N~1~-diethyl-1,4-pentanediamine phosphate (1:2)

Basic Information

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CAS Number

50-63-5

Molecular Formula

C18H32ClN3O8P2

Molecular Weight

515.87 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Insecticides

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

200?°C (dec.)

Boiling Point

460.6°C at 760 mmHg

Water Solubility

Soluble in water

Flash Point

232.3°C

Solubility

H2O: 50 mg/mL, clear

SMILES

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CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)

InChIKey

QKICWELGRMTQCR-UHFFFAOYSA-N

LogP

2.9534000000000047

Topological Polar Surface Area

183.68 Å²

Hydrogen Bond Donor/Acceptor

7 / 11

Complexity

359

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

chloroquine bis(phosphate)
7-chlor-4-(4-(diaethylamino)-1-methylbutylamino)-chinolindiphosphat
7-chloro-4-((4’-diethylamino-1-methylbutyl)amino)quinolinediphosphate
7-chloro-4-(4-diethylamino-1-methyl-butylamino)-quinolindiphosphate
alermine
aralendiphosphate
chingaminphosphate
chloroquindiphosphate
Chloroquine diphosphate salt
Chloroquine (diphosphate)
Chloroquine diphosphate
Chloroquine Phosphate
7-Chloro-4-[4-(diethylamino)-1-methylbutylamino]quinoline Diphosphate
N4-(7-Chloro-4-quinolyl)-N1,N1-diethyl-1,4-pentanediamine Diphosphate
N4-(7-chloroquinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine diphosphate
N-(7-Chloro-4-quinolinyl)-N,N-dimethyl-1,4-pentanediamine diphosphate salt
Aralen phosphate
Delagil
Arechin
Chingaminum
Chingamin phosphate
H-Stadur
Aralen diphosphate
Tanakan
Khingamin
Miniquine
Tanakene
Chlorochin diphosphate
Chloroquin diphosphate
Tanakan (antimalarial)
Gontochin phosphate

MDL Number

MFCD00069852

Customs Code

2933499090

FAQ

What is N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine phosphate (1:2) (CAS: 50-63-5)?

N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine phosphate (1:2) is a phosphate ester derived from 1,4-pentanediamine and 7-chloro-4-quinolinyl groups. It has the chemical formula C16H22ClN3O11P2 and is characterized by its polar phosphate functionality and quinoline-based structure, making it useful in specialized chemical applications. Its CAS number is 50-63-5, ensuring accurate identification in research and industry contexts.

What are the main uses of N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine phosphate (1:2) (CAS: 50-63-5)?

This compound is primarily used in pharmaceutical research as a precursor for drug development, particularly in compounds targeting neurological or metabolic pathways. It also serves as a key intermediate in organic synthesis and may find applications in industrial processes requiring phosphate ester functionality. Its unique structure supports use in chemical research and specialty chemical manufacturing, with CAS number 50-63-5 ensuring traceability.

Is N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine phosphate (1:2) (CAS: 50-63-5) safe?

Safety of this compound depends on proper handling. While it is generally considered low in acute toxicity, precautions include wearing protective gloves, goggles, and ensuring adequate ventilation. It should be stored securely to avoid exposure, and safety standards emphasize adherence to chemical handling protocols. Always consult safety data sheets for detailed guidelines, especially with CAS number 50-63-5.

How should N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine phosphate (1:2) (CAS: 50-63-5) be stored?

Store this compound at room temperature (15-25°C) in a dry, airtight container to prevent moisture absorption. Keep it away from light to maintain stability, and ensure it is stored in a well-ventilated area. Use a desiccator for long-term preservation, and avoid exposure to incompatible substances. Proper storage conditions for CAS number 50-63-5 are critical for preserving its chemical integrity.