2-Methoxypyrimidin-5-amine

HCID 352904CAS 56621-89-7

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Grundinformationen

Standard-SMILES: COc1ncc(N)cn1
InChIKey: HKHRENFWPKWVML-UHFFFAOYSA-N
Summenformel: C5H7N3O
Durchschnittliche Molmasse: 125,13 g/mol
Monoisotopische Masse: 125,05891186

Namen und Bezeichner

Bevorzugter Name: 2-Methoxypyrimidin-5-amine
IUPAC: 2-methoxypyrimidin-5-amine
Englischer Name: 2-Methoxypyrimidin-5-amine
Summenformel: C5H7N3O
Molmasse: 125.13

Namen und Synonyme

2-methoxypyrimidin-5-amine56621-89-75-Amino-2-methoxypyrimidineMFCD082348785-PYRIMIDINAMINE, 2-METHOXY-NSC5287292-methoxypyrimidine-5-amineSCHEMBL115475DTXSID203264762-methoxy-5-pyrimidinamineAMY15645BCP22071

Weitere Namen anzeigen

5-Pyrimidinamine, 2-methoxy5-Pyrimidinamine, 2-methoxy- (9CI)2-Methoxypyrimidin-5-amine ISO 9001：2015 REACH2-Methoxypyrimidin-5-amine, 5-Amino-2-methoxy-1,3-diazine

2-methoxypyrimidine-5-ylamineSCHEMBL4056682CS-D161CS-D1615SBB0519542-METHOXY-PYRIMIDIN-5-YLAMINEAKOS010387989AB43671

Datenbank-Bezeichner

CAS: 56621-89-7
PubChem CID: 352904
DTXSID: DTXSID20326476
EC Number: 639-355-7
Nikkaji: J3.759.373G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 61 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 80

Physikochemische Eigenschaften

Schmelzpunkt: 119 · 119-120 °C(Solv: benzene (71-43-2))
Siedepunkt: 294.4 · 294.4±32.0 °C(Predicted)
Dichte: 1.224 · 1.224±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 2.49 · 2.49±0.22(Predicted)
InChI: InChI=1S/C5H7N3O/c1-9-5-7-2-4(6)3-8-5/h2-3H,6H2,1H3
InChIKey: HKHRENFWPKWVML-UHFFFAOYSA-N
SMILES: C1(OC)=NC=C(N)C=N1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): 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 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.