6-[(2-{(2-Hydroxyethyl)[3-(4-nitrophenyl)propyl]amino}ethyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione hydrochloride (1:1)

Basic Information

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CAS Number

130656-51-8

Molecular Formula

C19H28ClN5O5

Molecular Weight

441.9 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 Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

172-174°

Boiling Point

597.9°Cat760mmHg

Flash Point

315.4°C

SMILES

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CN1C(=CC(=O)N(C1=O)C)NCCN(CCCC2=CC=C(C=C2)[N+](=O)[O-])CCO.Cl

InChI

InChI=1S/C19H27N5O5.ClH/c1-21-17(14-18(26)22(2)19(21)27)20-9-11-23(12-13-25)10-3-4-15-5-7-16(8-6-15)24(28)29;/h5-8,14,20,25H,3-4,9-13H2,1-2H3;1H

InChIKey

YPVGGQKNWAKOPX-UHFFFAOYSA-N

LogP

1.72940

pKa

7.05(at 25℃)

Complexity

613

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

6-(2-(2-hydroxyethyl-(3-(4-nitrophenyl)propyl)amino)ethyl amino)-1,3-dimethylpyrimidine-2,4-dione hcl
MS 551
AKOS015900502
DTXCID7026495
1,3-Dimethyl-6-((2-(N-(2-hydroxyethyl)-3-(4-nitrophenyl)propylamino)ethylamino)-2,4(1H),3H)-pyrimidinedione hcl
BCP12511
MS-27951
nifekalant
CAS-130636-43-0
NIFEKALANT HYDROCHLORIDE [WHO-DD]
6-(2-((2-hydroxyethyl)(3-(4-nitrophenyl)propyl)
TPP5R0MDQS
UNII-TPP5R0MDQS
MLS001401449
130636-43-0
DTXSID9046495
CS-0014293
NCGC00164637-02
AC-3499
SMR000466369
6-(2-((2-hydroxyethyl)(3-(4-nitrophenyl)propyl)amino)ethylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione hydrochloride
NCGC00164637-01
Nifekalant hydrochloride (JAN)
NC00147
2,4(1H,3H)-Pyrimidinedione, 6-((2-((2-hydroxyethyl)(3-(4-nitrophenyl)propyl)amino)ethyl)amino)-1,3-dimethyl-, monohydrochloride
Q27290131
amino)ethylamino)-1,3-dimethylpyrimidine-
2,4(1H,3H)-dione hydrochloride
Tox21_112254
D01856
CCG-100897

MDL Number

MFCD00892243

FAQ

What regulatory guidelines apply to 6-[(2-{(2-Hydroxyethyl)[3-(4-nitrophenyl)propyl]amino}ethyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione hydrochloride (CAS: 130656-51-8)?

This compound (CAS: 130656-51-8) is classified under GHS as a category 2 skin corrosion/irritation and category 2 serious eye damage/eye irritation. It is also subject to REACH registration requirements, including a safety data sheet (SDS). FDA and EPA regulations may also apply for its use in the US, particularly in pharmaceuticals and chemicals regulated under environmental law.

Are there alternatives to 6-[(2-{(2-Hydroxyethyl)[3-(4-nitrophenyl)propyl]amino}ethyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione hydrochloride (CAS: 130656-51-8) in synthesis?

Alternatives to this compound in synthesis may include similar pyrimidinedione derivatives with different substituents. Commonly used alternatives include 6-[(2-{(2-Hydroxyethyl)[3-(2-nitrophenyl)propyl]amino}ethyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione and other analogs with varying functional groups. These alternatives can provide similar biological activities or reactivity profiles.

What is the market or research trend for 6-[(2-{(2-Hydroxyethyl)[3-(4-nitrophenyl)propyl]amino}ethyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione hydrochloride (CAS: 130656-51-8)?

The research trend for this compound (CAS: 130656-51-8) focuses on its potential as an antiviral agent and antifungal agent. Recent studies are exploring its efficacy against various pathogens. Market trends indicate growing interest in its application in pharmaceuticals and as a component in drug development. However, further research is needed to establish its full therapeutic potential.

How should waste containing 6-[(2-{(2-Hydroxyethyl)[3-(4-nitrophenyl)propyl]amino}ethyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione hydrochloride (CAS: 130656-51-8) be handled?

Waste containing this compound (CAS: 130656-51-8) should be collected in suitable containers and neutralized if necessary. It should then be stored until disposal in accordance with local regulations. Incineration or professional waste disposal services are recommended. Environmental precautions include ensuring the waste does not contaminate soil or water during handling and transportation. Always follow local hazardous waste management guidelines for safe disposal.