6-Amino-4-methylnicotinonitrile

HCID 9964103CAS 179555-10-3

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1cc(N)ncc1C#N
InChIKey: WOQVCAIIMZEFGA-UHFFFAOYSA-N
Summenformel: C7H7N3
Durchschnittliche Molmasse: 133,15 g/mol
Monoisotopische Masse: 133,06399724

Namen und Bezeichner

Bevorzugter Name: 6-Amino-4-methylnicotinonitrile
IUPAC: 6-amino-4-methylpyridine-3-carbonitrile
Englischer Name: 2-Amino-5-cyano-4-picoline
Summenformel: C7H7N3
Molmasse: 133.15

Namen und Synonyme

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

Weitere Namen anzeigen

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 62,7 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 157

Physikochemische Eigenschaften

Siedepunkt: 318.5 · 318.5±42.0 °C(Predicted)
Dichte: 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)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.