Basic information
- CAS
5424-01-1- Standard SMILES
Nc1nccnc1C(=O)O- InChIKey
ZAGZIOYVEIDDJA-UHFFFAOYSA-N- Molecular formula
- C5H5N3O2
- Average molar mass
- 139.11 g/mol
- Monoisotopic mass
- 139.0381764
Names & identifiers
- Preferred name
- 3-Amino-2-pyrazinecarboxylic acid
- IUPAC
- 3-aminopyrazine-2-carboxylic acid
- English name
- 3-Aminopyrazine-2-carboxylic acid
- Molecular formula
- C5H5N3O2
- Molecular weight
- 139.11
Names & synonyms
3-Aminopyrazine-2-carboxylic acid5424-01-13-Amino-2-pyrazinecarboxylic acidPyrazinecarboxylic acid, 3-amino-X78B5D12FNDTXSID20202589RefChem:463857DTXCID00125080226-558-7MFCD000061412-AMINO-3-PYRAZINECARBOXYLIC ACID2-Amino-3-carboxypyrazine
Show more names
NSC 13148DeacetylhypnosinTIMTEC-BB SBB0041793-Aminopyrazine-2-ca3-Aminopyrazinoic acid2-Amino-3-pyrazinecarboxyL3-Aminophrazine-2-carboxylic acid
3-Aminopiperazine-2-carboxylic acid3-Aminopyrazinecarboxylic acidNSC13148Oprea1_1071882-AMINOPYRAZINE-3-CARBOXYLIC ACID3-Aminopyrazine-2-carboxylicacid3-amino-pyrazine-2-carboxylic acidNSC-13148
Database identifiers
- CAS
5424-01-1- PubChem CID
- 72656
- DTXSID
DTXSID20202589- ChEMBL
CHEMBL5205921- UNII
- X78B5D12FN
- EC Number
- 226-558-7
- Nikkaji
- J207.935F
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Melting point
- 205 · 205-210 °C (dec.) (lit.)
- Boiling point
- 255.04 °C · 255.04°C (rough estimate)
- Density
- 1.4551 · 1.4551 (rough estimate)
- refractive index
- 1.59 · 1.5900 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- DMSO (Sparingly) , Methanol (Slightly)
- pka
- 3.65 · 3.65±0.10(Predicted)
- form
- Crystalline Powder
- color
- Yellow-greenish
- BRN
- 124835 · 124835
- InChI
- InChI=1S/C5H5N3O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H2,6,8)(H,9,10)
- InChIKey
- ZAGZIOYVEIDDJA-UHFFFAOYSA-N
- SMILES
- C1(C(O)=O)=NC=CN=C1N
- LogP
- -3.1 at · -3.1 at 20℃ and pH7
- Surface tension
- 73.6 mN/m · 73.6mN/m at 1g/L and 20℃
- CAS DataBase Reference
- 5424 · 5424-01-1(CAS DataBase Reference)
- FDA UNII
- 78 B5D12FN · X78B5D12FN
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29339990 · 29339990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 · Eye Dam. 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (91.8%): 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 49 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 08-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21900
Hazard Classes and CategoriesSkin Irrit. 2 (91.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29339990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAntidiabetic
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Related reactions
38 records
Compound notes
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