Grundinformationen
- Standard-SMILES
Cc1cncc(N)c1- InChIKey
JXUWZXFVCBODAN-UHFFFAOYSA-N- Summenformel
- C6H8N2
- Durchschnittliche Molmasse
- 108,14 g/mol
- Monoisotopische Masse
- 108,06874826
Namen und Bezeichner
- Bevorzugter Name
- 3-Amino-5-methylpyridine
- IUPAC
- 5-methylpyridin-3-amine
- Englischer Name
- 5-Methylpyridin-3-amine
- Summenformel
- C6H8N2
- Molmasse
- 108.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3430-19-1- PubChem CID
- 2762894
- DTXSID
DTXSID90376549- EC Number
- 624-420-4
- Nikkaji
- J79.794D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,5
- Polarare Oberfläche (TPSA)
- 38,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 72
Physikochemische Eigenschaften
- Schmelzpunkt
- 59 · 59-63 °C
- Siedepunkt
- 153 °C · 153°C
- Dichte
- 1.068 · 1.068±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 6.46 · 6.46±0.20(Predicted)
- Farbe
- White to Light yellow
- InChI
- InChI=1S/C6H8N2/c1-5-2-6(7)4-8-3-5/h2-4H,7H2,1H3
- InChIKey
- JXUWZXFVCBODAN-UHFFFAOYSA-N
- SMILES
- C1=NC=C(C)C=C1N
- CAS Datenbank
- 3430 · 3430-19-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H302 (95.2%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (92.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (97.6%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2811
- hs_code
- 2933399990
- risk_code
- 22-37/38-41-20/21/22
- hazard_code
- T,Xi,Xn
- hazard_note
- Toxic
- safety_code
- 26-36/37/39-36
- hazard_class
- IRRITANT, TOXIC
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden3-Amino-5-methylpyridine is an important intermediate in organic synthesis, mainly used in pharmaceutical intermediates, organic synthesis, organic solvents, and can also be used in the production of dyes, pesticides and spices.
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