Aminopyrazine
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Basic information
- CAS
5049-61-6- Standard SMILES
Nc1cnccn1- InChIKey
XFTQRUTUGRCSGO-UHFFFAOYSA-N- Molecular formula
- C4H5N3
- Average molar mass
- 95.1 g/mol
- Monoisotopic mass
- 95.04834716
Overview
Aminopyrazine is a member of pyrazines.
Names & identifiers
- Preferred name
- Aminopyrazine
- IUPAC
- pyrazin-2-amine
- English name
- Aminopyrazine
- Molecular formula
- C4H5N3
- Molecular weight
- 95.1
Names & synonyms
2-Aminopyrazine5049-61-6AminopyrazinePyrazinamineES73FRK6MYDTXSID80198510NSC-13147RefChem:465193DTXCID40121001225-748-7pyrazin-2-amine2-Pyrazinamine
Show more names
APZNSC 13147ENT 60202
pyrazin-2-ylaminePyrazine, 2-amino-MFCD00006137pyrazineamineAMINO PYRAZINEEINECS 225-748-7CHEMBL1834089CL4536
Database identifiers
- CAS
5049-61-6- PubChem CID
- 78747
- DTXSID
DTXSID80198510- ChEMBL
CHEMBL1834089- ChEBI
CHEBI:194609- UNII
- ES73FRK6MY
- EC Number
- 225-748-7
- Nikkaji
- J80.944F
Properties
Computed structural propertiesFilling in
- XLogP
- -0.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 54.9
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP-0.07
Boiling Point218 °C @760 [mm Hg]
Melting Point116 °C
Vapor Pressure0.19 [mm Hg] @25 °C
Physicochemical properties
- Melting point
- 118 · 118-120 °C (lit.)
- Boiling point
- 167.6 °C · 167.6°C (rough estimate)
- Density
- 1.1031 · 1.1031 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Methanol
- form
- Crystalline Powder
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPyrazinamine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety & protection
Protective Action Criteria (PAC)
0.076 [ppm]
0.83 [ppm]
5.0 [ppm]
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339990
- risk_code
- 36/37/38-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,F
- safety_code
- 26-36-37/39
Chemistry & industry
Applications
Uses2-Aminopyrazine acts as a raw material in a four-component synthesis of imidazolidines. It is also used as an intermediate in synthetic chemistry. In addition, 2-aminopyrazine can be reacted with α-ketohydroximoyl chlorides to form 3-nitrosoimidazo[1,2-a]pyrazines.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
364 records
Compound notes
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