6-Methoxypyridazin-3-amin

6-Methoxypyridazin-3-amine

HCID 81673CAS 7252-84-8

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Grundinformationen

Standard-SMILES: COc1ccc(N)nn1
InChIKey: YPWBPONDYDVMLX-UHFFFAOYSA-N
Summenformel: C5H7N3O
Durchschnittliche Molmasse: 125,13 g/mol
Monoisotopische Masse: 125,05891186

Namen und Bezeichner

Bevorzugter Name: 6-Methoxypyridazin-3-amine
IUPAC: 6-methoxypyridazin-3-amine
Lokaler Name: 6-Methoxypyridazin-3-amin
Englischer Name: 3-Amino-6-methoxypyridazine
Summenformel: C5H7N3O
Molmasse: 125.13

Namen und Synonyme

6-Methoxypyridazin-3-amine3-Pyridazinamine, 6-methoxy-6-methoxy-3-pyridazinamineN3H9A46C5HNSC-73703DTXSID002228463-METHOXY-6-AMINOPYRIDAZINEEINECS 230-670-1NSC 73703PYRIDAZINE, 3-AMINO-6-METHOXY-RefChem:543726DTXCID30145337

Weitere Namen anzeigen

6-Amino-3-methoxypyridazineEOS-62222Netarsudil Impurity 12

230-670-13-Amino-6-methoxypyridazine7252-84-8MFCD01646127NSC737036-METHOXY-PYRIDAZIN-3-YLAMINEPB232433-Pyridazinamine,6-methoxy-

Datenbank-Bezeichner

CAS: 7252-84-8
PubChem CID: 81673
DTXSID: DTXSID00222846
UNII: N3H9A46C5H
EC Number: 230-670-1
Nikkaji: J212.265K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,4
Polarare Oberfläche (TPSA): 61 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 88

Physikochemische Eigenschaften

Schmelzpunkt: 108 · 108-109℃
Siedepunkt: 353.5 · 353.5±22.0 °C(Predicted)
Dichte: 1.224 · 1.224
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: Solid
pka: 5.84 · 5.84±0.10(Predicted)
InChI: InChI=1S/C5H7N3O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3,(H2,6,7)
InChIKey: YPWBPONDYDVMLX-UHFFFAOYSA-N
SMILES: C1(N)=NN=C(OC)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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 5 reports by companies from 5 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (40%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2933998090
risk_code: 22
hazard_code: Xi,Xn

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung3-amino-6-methoxypyridazine: a critical pharmaceutical intermediate.It can be used for pyridopyrimidine compounds with remarkable biological activity or medicines, such as the anticancer drug Ruugeli, which can be used for treating indications such as pain caused by endometriosis, uterine fibroids and advanced prostate cancer. At present, many reports on the preparation method of the compound exist, and various process impurities such as 3-amino-6-chloropyridazine, 3-amino-6-hydroxypyridazine, 3-chloro-6-hydroxypyridazine, 3-dichloropyridazine, 3, 6-dimethoxypyridazine, 3-amino-6-methoxypyridazine, 3-aminopyridazine and the like are often introduced in the process of the conventional synthesis process.

Verwenden3-Amino-6-methoxypyridazine is an organic reagent that can be used as a key intermediate in the preparation of Relugoli.