2-[(3-Pyridinylcarbonyl)amino]ethyl nitrate

Basic Information

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CAS Number

65141-46-0

Molecular Formula

C8H9N3O4

Molecular Weight

211.17 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

Basic Physical Properties

Physical State

Powder

Melting Point

88.0 to 92.0 deg-C

Boiling Point

350.85°C (rough estimate)

Density

1.4271 (rough estimate)

Solubility

DMSO: >10mg/mL

Refractive Index

1.7400 (estimate)

SMILES

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C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)

InChIKey

LBHIOVVIQHSOQN-UHFFFAOYSA-N

LogP

0.93380

Complexity

228

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

Toxicity

LD50 in rats (mg/kg): 1200-1300 orally; 800-1000 i.v. (Nagano)

Synonyms & References

English

Nicorandil- Bio-X
HMS2051N16
Nicorandil [USAN:INN:BAN:JAN]
NS00006757
SCHEMBL34547
BN164649
NICORANDIL [INN]
Dancor
BRN 0481451
SG 75
BCP09434
Q862989
SR-01000597534
HS-0049
NICORANDIL
SW197675-3
HMS2232A06
HMS2095E14
CCG-101045
Nicorandil (JP17/USAN/INN)
HMS3677G17
2-(pyridine-3-carbylamino) ethyl nitrate
BRD-K97752965-001-01-6
BDBM50247908
F0005-2298
Adancor
UNII-260456HAM0
2-[(PYRIDIN-3-YLCARBONYL)AMINO]ETHYL NITRATE
HMS3371N18
AKOS025149378
CHEBI:31905

MDL Number

MFCD00186520

Customs Code

2933399090

FAQ

What is 2-[(3-Pyridinylcarbonyl)amino]ethyl nitrate (CAS: 65141-46-0)?

2-[(3-Pyridinylcarbonyl)amino]ethyl nitrate (CAS: 65141-46-0) is a nitrogen-containing organic compound with the molecular formula C8H10N2O5. It features a pyridine ring linked to an aminoethyl nitrate group, making it a versatile intermediate in chemical synthesis. The compound is typically a white solid with moderate solubility in polar solvents, and it exhibits stability under standard conditions.

What are the main uses of 2-[(3-Pyridinylcarbonyl)amino]ethyl nitrate (CAS: 65141-46-0)?

2-[(3-Pyridinylcarbonyl)amino]ethyl nitrate (CAS: 65141-46-0) is primarily used in pharmaceutical research as a building block for drug development, particularly in synthesizing anti-inflammatory and antimicrobial agents. It also serves as an industrial chemical intermediate and is relevant in organic chemistry studies for exploring nitrate ester reactivity and functional group modifications.

Is 2-[(3-Pyridinylcarbonyl)amino]ethyl nitrate (CAS: 65141-46-0) safe?

2-[(3-Pyridinylcarbonyl)amino]ethyl nitrate (CAS: 65141-46-0) requires careful handling due to its potential irritancy to skin, eyes, and respiratory systems. Safety data suggests it may have moderate toxicity if ingested or inhaled. Protective measures include wearing gloves, goggles, and a lab coat, and ensuring proper ventilation. Always follow OSHA and EPA guidelines for chemical exposure limits.

How should 2-[(3-Pyridinylcarbonyl)amino]ethyl nitrate (CAS: 65141-46-0) be stored?

2-[(3-Pyridinylcarbonyl)amino]ethyl nitrate (CAS: 65141-46-0) should be stored in a cool, dry, and dark place at temperatures below 25°C. Keep it in a sealed container to prevent moisture absorption and contamination. Avoid exposure to light and air to maintain stability, and ensure storage in a well-ventilated area to minimize risks associated with its chemical properties.