Methyl 5,6-diaminopyridine-3-carboxylate

HCID 9920476

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Grundinformationen

CAS: 104685-76-9
Standard-SMILES: COC(=O)c1cnc(N)c(N)c1
InChIKey: KZFTZZIOEVUOOT-UHFFFAOYSA-N
Summenformel: C7H9N3O2
Durchschnittliche Molmasse: 167,17 g/mol
Monoisotopische Masse: 167,06947654

Namen und Bezeichner

Bevorzugter Name: Methyl 5,6-diaminopyridine-3-carboxylate
IUPAC: methyl 5,6-diaminopyridine-3-carboxylate
Englischer Name: 5,6-Diaminopyridine-3-carboxylic acid methyl ester
Summenformel: C7H9N3O2
Molmasse: 167.17

Namen und Synonyme

Methyl 5,6-diaminopyridine-3-carboxylateRefChem:816620820-792-9104685-76-9METHYL 5,6-DIAMINONICOTINATE5,6-Diaminopyridine-3-carboxylic acid methyl esterMFCD116563145,6-diamino-nicotinic acid methyl esterMethyl 5,6-diamino-3-pyridinecarboxylateSCHEMBL41129methyl-5,6-diaminonicotinateorb1962224

Weitere Namen anzeigen

5,6-DiaMinopyidine-3-carboxxylic acid Methyl ester

SCHEMBL31705858DTXSID80432789KZFTZZIOEVUOOT-UHFFFAOYSA-N3-PYRIDINECARBOXYLIC ACID, 5,6-DIAMINO-, METHYL ESTERMETHYL5,6-DIAMINONICOTINATEEEA68576AKOS022184260AB64509

Datenbank-Bezeichner

CAS: 104685-76-9
PubChem CID: 9920476
DTXSID: DTXSID80432789
EC Number: 820-792-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,3
Polarare Oberfläche (TPSA): 91,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 174

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.