5-Amino-2-methylpyridine

HCID 243313CAS 3430-14-6

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Cc1ccc(N)cn1
InChIKey: UENBBJXGCWILBM-UHFFFAOYSA-N
Summenformel: C6H8N2
Durchschnittliche Molmasse: 108,14 g/mol
Monoisotopische Masse: 108,06874826

Namen und Bezeichner

Bevorzugter Name: 5-Amino-2-methylpyridine
IUPAC: 6-methylpyridin-3-amine
Englischer Name: 5-Amino-2-methylpyridine
Summenformel: C6H8N2
Molmasse: 108.14

Namen und Synonyme

5-Amino-2-methylpyridine6-methylpyridin-3-amine3430-14-6DTXSID00287854RefChem:532218DTXCID10239001625-232-53-Amino-6-methylpyridine5-Amino-2-picoline3-Amino-6-picoline6-methyl-3-pyridinamine80287-53-2

Weitere Namen anzeigen

6-METHYL-PYRIDIN-3-YLAMINEAURORA KA-79235-Aminopicoline5-Amino-2-methylpyri6-Methyl-Pyridin-3-yl5-Amino-2-methypyridine

MFCD008333896-methylpyridine-3-amine5-amino-2-methylpyridin3-amino-6-methyl-pyridineNSC 52872PB32227PS-9287EN300-42380

Datenbank-Bezeichner

CAS: 3430-14-6
PubChem CID: 243313
DTXSID: DTXSID00287854
EC Number: 625-232-5
Nikkaji: J83.254E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 72,9

Physikochemische Eigenschaften

Schmelzpunkt: 95 · 95-99°C
Siedepunkt: 238.4 · 238.4±20.0 °C(Predicted)
Dichte: 1.068 · 1.068±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 6.89 · 6.89±0.10(Predicted)
Aggregatzustand: Powder
Farbe: Off-white to orange to brown
InChI: InChI=1S/C6H8N2/c1-5-2-3-6(7)4-8-5/h2-4H,7H2,1H3
InChIKey: UENBBJXGCWILBM-UHFFFAOYSA-N
SMILES: C1=NC(C)=CC=C1N
LogP: 0.704 · 0.704
CAS Datenbank: 3430 · 3430-14-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 07-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29319

Hazard Classes and CategoriesAcute Tox. 3 (12.5%)

Sicherheitsdaten

wgk: 3
ridadr: UN2811
hs_code: 29333999
risk_code: 22-37/38-41-36/37/38-34-24/25
hazard_code: Xn,Xi,C
hazard_note: Harmful
safety_code: 26-36/39-45-36/37/39-36-27-36/37
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden6-Methylpyridine-3-amine, is a heterocyclic building block used in the manufacture of various pharmaceutical compounds. It can be used for the synthesis of 2-aminoquinazoline derivatives, as a novel class of metabotropic glutamate receptor 5 negative allosteric modulators (mGluR5), leading toward a drug candidate for the treatment of l-DOPA induced dyskinesia.