3,5-Diamino-6-chloropyrazine-2-carboxamide
Basic information
- CAS
14236-57-8- Standard SMILES
NC(=O)c1nc(Cl)c(N)nc1N- InChIKey
UYTQEWLAYXCJEC-UHFFFAOYSA-N- Molecular formula
- C5H6ClN5O
- Average molar mass
- 187.59 g/mol
- Monoisotopic mass
- 187.0260875
Names & identifiers
- Preferred name
- 3,5-Diamino-6-chloropyrazine-2-carboxamide
- IUPAC
- 3,5-diamino-6-chloropyrazine-2-carboxamide
- English name
- 6-Chloro-3,5-diamino-2-pyrazinecarboxamide
- Molecular formula
- C5H6ClN5O
- Molecular weight
- 187.59
Names & synonyms
3,5-diamino-6-chloropyrazine-2-carboxamide14236-57-8DTXSID50345418RefChem:271551DTXCID50296491630-798-16-Chloro-3,5-diamino-2-pyrazinecarboxamide6-Chloro-3,5-diaminopyrazine-2-carboxamideMFCD00010430SCHEMBL805324SCHEMBL3148174SCHEMBL31325583
Show more names
TIMTEC-BB SBB0036852-Pyrazinecarboxamide, 3,5-diamino-6-chloro-3,5-Diamino-6-chloro-pyrazine-2-carboxylic acid amide
UYTQEWLAYXCJEC-UHFFFAOYSA-NAKOS015894401AS-82007ST058124DB-0426243,5-diamino-6-chloro-pyrazine-2-carboxamide6-chloro-3,5-diamino-2-pyrazine-carboxamideG77342
Database identifiers
- CAS
14236-57-8- PubChem CID
- 604343
- DTXSID
DTXSID50345418- EC Number
- 630-798-1
- Nikkaji
- J942.943C
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 219 · 219-221 °C(lit.)
- Boiling point
- 382.5 · 382.5±42.0 °C(Predicted)
- Density
- 1.688 · 1.688±0.06 g/cm3(Predicted)
- pka
- 13.91 · 13.91±0.50(Predicted)
- form
- solid
- InChI
- 1S/C5H6ClN5O/c6-2-4(8)11-3(7)1(10-2)5(9)12/h(H2,9,12)(H4,7,8,11)
- InChIKey
- UYTQEWLAYXCJEC-UHFFFAOYSA-N
- SMILES
- NC(=O)c1nc(Cl)c(N)nc1N
- UNSPSC Code
- 12162002 · 12162002
- 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
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Suppliers
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Related reactions
2 records
Compound notes
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