Grundinformationen
- Standard-SMILES
CNc1ccncc1- InChIKey
LSCYTCMNCWMCQE-UHFFFAOYSA-N- Summenformel
- C6H8N2
- Durchschnittliche Molmasse
- 108,14 g/mol
- Monoisotopische Masse
- 108,06874826
Namen und Bezeichner
- Bevorzugter Name
- 4-(Methylamino)pyridine
- IUPAC
- N-methylpyridin-4-amine
- Englischer Name
- N-Methyl-4-pyridinamine
- Summenformel
- C6H8N2
- Molmasse
- 108.14
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1121-58-0- PubChem CID
- 123098
- DTXSID
DTXSID50149913- ChEMBL
CHEMBL5426680- EC Number
- 628-413-7
- Nikkaji
- J595.380D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 24,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 57
Physikochemische Eigenschaften
- Schmelzpunkt
- 124 · 124-125 °C (lit.)
- Siedepunkt
- 100 °C/0.1 · 100 °C/0.1 mmHg (lit.)
- Dichte
- 1.0275 · 1.0275 (estimate)
- Brechungsindex
- 1.556 · 1.5560 (estimate)
- storage temp.
- 2 · 2-8°C, protect from light
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- pka
- 1 · pK1:9.65(+1) (20°C)
- Farbe
- White to Almost white
- Wasserlöslichkeit
- Soluble in water, acetone, ethanol, ether and benzene.
- BRN
- 108213 · 108213
- InChI
- InChI=1S/C6H8N2/c1-7-6-2-4-8-5-3-6/h2-5H,1H3,(H,7,8)
- InChIKey
- LSCYTCMNCWMCQE-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(NC)=C1
- CAS Datenbank
- 1121 · 1121-58-0(CAS DataBase Reference)
- NIST chemische Informationen
- -4 · N-Methyl-4-pyridinamine(1121-58-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (10.6%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (10.6%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (95.7%): 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, P317, 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 47 reports by companies from 6 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
- F
- 34
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29333990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
VerwendenN-Methyl-4-pyridinamine is used in the synthesis of novel pan-PIM kinase inhibitors.
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