N-Hydroxy-6-methyl-nicotinamidine

HCID 73867086

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Grundinformationen

CAS: 468068-25-9
Standard-SMILES: Cc1ccc(C(N)=NO)cn1
InChIKey: UDXMAQYWYAORDW-UHFFFAOYSA-N
Summenformel: C7H9N3O
Durchschnittliche Molmasse: 151,17 g/mol
Monoisotopische Masse: 151,07456192

Namen und Bezeichner

Bevorzugter Name: N-Hydroxy-6-methyl-nicotinamidine
IUPAC: N'-hydroxy-6-methylpyridine-3-carboximidamide
Englischer Name: N-hydroxy-6-methyl-3-Pyridinecarboximidamide
Summenformel: C7H9N3O
Molmasse: 151.17

Namen und Synonyme

N-Hydroxy-6-methyl-nicotinamidineMFCD22413698468068-25-9SCHEMBL641281SCHEMBL641282SCHEMBL29362978UDXMAQYWYAORDW-UHFFFAOYSA-NN'-hydroxy-6-methylnicotinimidamideDA-42398N'-hydroxy-6-methyl-pyridine-3-carboxamidineF475829(Z)-n'-hydroxy-6-methylnicotinimidamide

Weitere Namen anzeigen

N'-hydroxy-6-methylpyridine-3-carboxamidineN'-hydroxy-6-methylpyridine-3-carboxamidineN-hydroxy-6-methyl-3-Pyridinecarboximidamide3-Pyridinecarboximidamide, N-hydroxy-6-methyl-

Datenbank-Bezeichner

CAS: 468068-25-9
PubChem CID: 73867086
EC Number: 177-558-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 71,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Siedepunkt: 273.3 · 273.3±42.0 °C(Predicted)
Dichte: 1.26 · 1.26±0.1 g/cm3(Predicted)
pka: 13.6 · 13.60±0.50(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.