6-Amino-4-methylnicotinonitrile

HCID 9964103CAS 179555-10-3

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Basic information

Standard SMILES: Cc1cc(N)ncc1C#N
InChIKey: WOQVCAIIMZEFGA-UHFFFAOYSA-N
Molecular formula: C7H7N3
Average molar mass: 133.15 g/mol
Monoisotopic mass: 133.06399724

Names & identifiers

Preferred name: 6-Amino-4-methylnicotinonitrile
IUPAC: 6-amino-4-methylpyridine-3-carbonitrile
English name: 2-Amino-5-cyano-4-picoline
Molecular formula: C7H7N3
Molecular weight: 133.15

Names & synonyms

6-Amino-4-methylnicotinonitrile179555-10-3DTXSID60433355RefChem:307120DTXCID30384183688-418-52-Amino-5-cyano-4-picoline6-amino-4-methylpyridine-3-carbonitrile3-Pyridinecarbonitrile, 6-amino-4-methyl-6-Amino-4-methyl-nicotinonitrileMFCD09839255AKOS006280328

Show more names

2-AMino-5-cyano-4-MethylpyridinenicotinonitriL6-Amino-4-MethyL3-Pyridinecarbonitrile,6-amino-4-methyl-(9CI)2-Amino-5-cyano-4-picoline, 6-Amino-4-methylpyridine-3-carbonitrile

SB343876-amino-4-methyl-3-pyridinecarbonitrileAC-27224EN300-2029513-Pyridinecarbonitrile,6-amino-4-methyl-6-amino-4-methyl-pyridine-3-carbonitrileA812461SCHEMBL2767503

Database identifiers

CAS: 179555-10-3
PubChem CID: 9964103
DTXSID: DTXSID60433355
EC Number: 688-418-5

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 62.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 157

Physicochemical properties

Boiling point: 318.5 · 318.5±42.0 °C(Predicted)
Density: 1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 4.1 · 4.10±0.24(Predicted)
Appearance: Off-white to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Risk Statements: 41 · 41
Safety Statements: 26 · 26-39
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.