1-aminopyrrole-2-carboxamide

Basic Information

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CAS Number

159326-69-9

Molecular Formula

C5H7N3O

Molecular Weight

125.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

Yellow to Brown Solid

Boiling Point

425.9°C at 760 mmHg

SMILES

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C1=CN(C(=C1)C(=O)N)N

InChI

InChI=1S/C5H7N3O/c6-5(9)4-2-1-3-8(4)7/h1-3H,7H2,(H2,6,9)

InChIKey

WXHLTDFUEACLBE-UHFFFAOYSA-N

LogP

-0.6992

Topological Polar Surface Area

74.04 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

125

Safety Information

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Hazard Statement

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

WXHLTDFUEACLBE-UHFFFAOYSA-N
MFCD11053506
BCP13936
159326-69-9
1H-Pyrrole-2-carboxamide,1-amino-(9CI)
1H-PYRROLE-2-CARBOXAMIDE, 1-AMINO-
AKOS006308939
1-azanylpyrrole-2-carboxamide
A810020
1-AMINO-1H-PYRROLE-2-CARBOXYLIC ACID AMIDE
W-205842
SY007857
PB26616
1-Amino-1H-pyrrole-2-carboxamide
1-aminopyrrole-2-carboxamide
CS-D0845
AM84525
1-amino-2-pyrrolecarboxamide
FT-0685679
AS-36007
DTXSID10439504
SCHEMBL1269750
1-amino-1H-Pyrrole-2-carboxamide
1-Amino-1H-pyrrole-2-carboxylic acid methyl ester
1H-Pyrrole-2-carboxamide,1-amino-
1-AMino-1H-pyrrole-2-carboxylic acid aMide
PubChem22288
CP0126
FCH887935
RTC-
1-amino-1H-pyrrole-2-carboxamide

MDL Number

MFCD11053506

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-aminopyrrole-2-carboxamide (CAS: 159326-69-9)?

1-Aminopyrrole-2-carboxamide (CAS: 159326-69-9) is a white crystalline solid with a molecular weight of approximately 148.15 g/mol. It is sparingly soluble in water and has a pKa of about 6.5. The compound is moderately reactive, particularly with bases and nucleophiles. It is stable under normal storage conditions but should be protected from moisture and air to prevent degradation.

How is 1-aminopyrrole-2-carboxamide (CAS: 159326-69-9) typically synthesized?

1-Aminopyrrole-2-carboxamide can be synthesized via amide coupling of 1-cyanopyrrole-2-carboxylic acid with ammonia or an amine. Commonly, this is achieved using coupling reagents like HATU or EDC with a base such as DIPEA. The reaction yields 90-95% pure product with good selectivity and moderate to good yield.

What industries use 1-aminopyrrole-2-carboxamide (CAS: 159326-69-9)?

1-Aminopyrrole-2-carboxamide (CAS: 159326-69-9) is primarily used in pharmaceutical and chemical research for its functional amide group and basic nitrogen. It finds applications in the development of new drugs, polymers, and as a precursor in organic synthesis. Additionally, it is used in the production of sensors and semiconductors due to its chemical properties.

What precautions should be taken when handling 1-aminopyrrole-2-carboxamide (CAS: 159326-69-9)?

When handling 1-aminopyrrole-2-carboxamide (CAS: 159326-69-9), it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and lab coat. The compound should be handled in a well-ventilated area or fume hood to avoid inhalation or skin contact. Spills should be cleaned up with caution, using appropriate absorbent materials. Always consult the Material Safety Data Sheet (MSDS/SDS) for detailed safety instructions and emergency procedures.