2-Aminoisonicotinamide

HCID 351653CAS 13538-42-6

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Basic information

Standard SMILES: NC(=O)c1ccnc(N)c1
InChIKey: AGSDASDGMNDAIE-UHFFFAOYSA-N
Molecular formula: C6H7N3O
Average molar mass: 137.14 g/mol
Monoisotopic mass: 137.05891186

Names & identifiers

Preferred name: 2-Aminoisonicotinamide
IUPAC: 2-aminopyridine-4-carboxamide
English name: 2-Aminopyridine-4-carboxamide
Molecular formula: C6H7N3O
Molecular weight: 137.14

Names & synonyms

2-AminoisonicotinamideRefChem:465158679-001-913538-42-62-Amino-isonicotinamide2-amino-4-pyridinecarboxamide2-Aminopyridine-4-carboxamideMFCD037912622-amino isonicotinamide2-Amino-4-pyridinecarbamide4-Pyridinecarboxamide,2-amino-DTXSID50326005

Show more names

NSC 5225972-AMINO-ISONICOTIMIDEApremilast Impurity 1184-Pyridinecarboxamide,2-amino-(9CI)2-AMINO-ISONICOTINAMIDE ISO 9001：2015 REACH

2-Amino-isonicotinamide, AldrichCPRAB16207CS-0008763EN300-51952Z7338749904-PYRIDINECARBOXAMIDE, 2-AMINO-NSC522597SCHEMBL446809

Database identifiers

CAS: 13538-42-6
PubChem CID: 351653
DTXSID: DTXSID50326005
EC Number: 679-001-9

Properties

Computed structural properties

XLogP: -0.6
Topological polar surface area: 82 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 137

Physicochemical properties

Melting point: 258 °C · 258°C
Boiling point: 360.1 · 360.1±27.0 °C(Predicted)
Density: 1.323 · 1.323±0.06 g/cm3 (20 ºC 760 Torr)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 15.22 · 15.22±0.50(Predicted)
color: White to Light yellow to Light orange
Water Solubility: Slightly soluble in water.
BRN: 115924 · 115924
InChI: 1S/C6H7N3O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,7,9)(H2,8,10)
InChIKey: AGSDASDGMNDAIE-UHFFFAOYSA-N
SMILES: NC(=O)c1ccnc(N)c1
CAS DataBase Reference: 13538 · 13538-42-6(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 301 · P301+P310
Hazard Codes: Xi,T
Risk Statements: 20 · 20/22-43-36-25
Safety Statements: 22 · 22-36/37-45-26
RIDADR: 2811 · UN 2811 6.1 / PGIII
WGK Germany: 3 · 3
HazardClass: IRRITANT
PackingGroup: III
HS Code: 29333990 · 29333990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

wgk: 3
ridadr: UN 2811 6.1 / PGIII
hs_code: 29333990
risk_code: 20/22-43-36-25
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi,T
safety_code: 22-36/37-45-26
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H301
Precautionary statements: P301+P310

Chemistry & industry

Applications

Uses2-Aminopyridine-4-carboxamide is used as pharmaceutical intermediate.

General Description2-Aminopyridine-4-carboxamide is an amide compound that can be used as an organic synthetic intermediate for the preparation of imide-type catalytic additives and polyimide films.