Grundinformationen
- Standard-SMILES
Nc1ccncc1CO- InChIKey
WNBVEYMTVDMSFZ-UHFFFAOYSA-N- Summenformel
- C6H8N2O
- Durchschnittliche Molmasse
- 124,14 g/mol
- Monoisotopische Masse
- 124,06366288
Überblick
4-aminopyridine-3-methanol is an aminopyridine that is 4-aminopyridine which is substituted by a hydroxymethyl group at position 3. It is a potassium channel blocker which restores axonal conduction after spinal cord injury. It has a role as a potassium channel blocker. It is an aromatic primary alcohol, an aromatic amine and an aminopyridine. It is functionally related to a 4-aminopyridine.
Namen und Bezeichner
- Bevorzugter Name
- 4-Aminopyridine-3-methanol
- IUPAC
- (4-amino-3-pyridinyl)methanol
- Englischer Name
- (4-Amino-pyridin-3-yl)-methanol
- Summenformel
- C6H8N2O
- Molmasse
- 124.14
Namen und Synonyme
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Datenbank-Bezeichner
- CAS
138116-34-4- PubChem CID
- 10796739
- DTXSID
DTXSID10444916- ChEBI
CHEBI:149772- EC Number
- 681-133-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,2
- Polarare Oberfläche (TPSA)
- 59,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 87,1
Physikochemische Eigenschaften
- Schmelzpunkt
- 167 · 167-169℃
- Siedepunkt
- 367.2 · 367.2±27.0 °C(Predicted)
- Dichte
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 13.54 · 13.54±0.10(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Pale Brown
- Wasserlöslichkeit
- Slightly soluble in water.
- Stabilität
- Air Sensitive
- InChI
- 1S/C6H8N2O/c7-6-1-2-8-3-5(6)4-9/h1-3,9H,4H2,(H2,7,8)
- InChIKey
- WNBVEYMTVDMSFZ-UHFFFAOYSA-N
- SMILES
- Nc1ccncc1CO
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H300 (16.7%): Fatal if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGII
- hs_code
- 29333990
- RTECS-Nr.
- US1750000
- risk_code
- 28-36/37/38
- hazard_code
- Xi,T+
- safety_code
- 26-36/37/39-45-37
- hazard_class
- 6.1
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 2 OralAcute Tox. 3 DermalAcute Tox. 3 InhalationAquatic Chronic 2Eye Dam. 1Skin Corr. 1B
Chemie und Industrie
Anwendungen
Verwenden4-Amino-3-pyridinemethanol is used as an organic chemical synthesis intermediate.
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