Aminopyrazine

HCID 78747CAS 5049-61-6
Substructure searchFind similar structures

Basic information

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 properties

XLogP
-0.1
Topological polar surface area
51.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
7

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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) · 3 items

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

Chemistry & industry

Applications · 1 item

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

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
枣庄九星生物科技有限公司0632-3759569 13589608009
INTATRADE GmbH+49 3493/605464 · [email protected]

Additional notes

DefinitionChEBI: Aminopyrazine is a member of pyrazines.

Related reactions

364 records
New reaction record

Linked notes

Loading…