4-Methoxy-6-methylpyrimidin-2-amine

HCID 587236CAS 7749-47-5

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Grundinformationen

Standard-SMILES: COc1cc(C)nc(N)n1
InChIKey: SNWZXTZIZWBIDQ-UHFFFAOYSA-N
Summenformel: C6H9N3O
Durchschnittliche Molmasse: 139,16 g/mol
Monoisotopische Masse: 139,07456192

Namen und Bezeichner

Bevorzugter Name: 4-Methoxy-6-methylpyrimidin-2-amine
IUPAC: 4-methoxy-6-methylpyrimidin-2-amine
Englischer Name: 2-Amino-4-methoxy-6-methylpyrimidine
Summenformel: C6H9N3O
Molmasse: 139.16

Namen und Synonyme

4-methoxy-6-methylpyrimidin-2-amineRefChem:524635620-757-62-Amino-4-methoxy-6-methylpyrimidine7749-47-52-Amino-4-methyl-6-methoxypyrimidineMFCD000597682-Pyrimidinamine, 4-methoxy-6-methyl-4-methoxy-6-methylpyrimidine-2-ylamine4-Methoxy-6-methyl-2-pyrimidinamine4-methoxy-6-methylpyrimidine-2-aminePyrimidine, 2-amino-4-methoxy-6-methyl-

Weitere Namen anzeigen

TIMTEC-BB SBB0067444-Methyl-6-methoxypyrimidine-2-amine2-Amino-4-methoxy-6-methylpyrimidine >2-AMINO-4-METHOXY-6-METHYLPYRIMIDINE, 98 %

Oprea1_769683SCHEMBL754480orb3029284SCHEMBL1880465DTXSID90343074PDK03612amino-4-methyl-6-methoxypyrimidineSBB006744

Datenbank-Bezeichner

CAS: 7749-47-5
PubChem CID: 587236
DTXSID: DTXSID90343074
EC Number: 620-757-6
Nikkaji: J58.049J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,6
Polarare Oberfläche (TPSA): 61 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 109

Physikochemische Eigenschaften

Schmelzpunkt: 156 · 156-158 °C (lit.)
Siedepunkt: 255.11 °C · 255.11°C (rough estimate)
Dichte: 1.2081 · 1.2081 (rough estimate)
Brechungsindex: 1.65 · 1.6500 (estimate)
storage temp.: 2 · 2-8°C, protect from light
Löslichkeit: 1 %, · methanol: soluble1%, clear to very slightly hazy, colorless to yellow
Aggregatzustand: powder to crystal
pka: 6.38 · 6.38±0.10(Predicted)
Farbe: White to Almost white
BRN: 121733 · 121733
InChI: 1S/C6H9N3O/c1-4-3-5(10-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
InChIKey: SNWZXTZIZWBIDQ-UHFFFAOYSA-N
SMILES: COc1cc(C)nc(N)n1
CAS Datenbank: 7749 · 7749-47-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)

Sicherheitsdaten

F: 8
wgk: 3
hs_code: 29335990
risk_code: 36/37/38-21/22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2-Amino-4-methoxy-6-methylpyrimidine may be employed as nucleophile to investigate the regioselective introduction of some nucleophiles at the secondary position of Baylis-Hillman adducts. It may be used in the preparation of 2-amino-4-methoxy-6-methylpyrimidin-1-ium picrate.