3-Pyridinemethanol
Grundinformationen
- CAS
744221-34-9- Standard-SMILES
OCc1cccnc1- InChIKey
MVQVNTPHUGQQHK-UHFFFAOYSA-N- Summenformel
- C6H7NO
- Durchschnittliche Molmasse
- 109,13 g/mol
Überblick
3-pyridinemethanol is a member of the class of pyridines that is pyridine which is substituted by a hydroxymethyl group at position 3. It has a role as a vasodilator agent and an antilipemic drug. It is a member of pyridines and an aromatic primary alcohol.
Namen und Bezeichner
- Bevorzugter Name
- 3-Pyridinemethanol
- IUPAC
- pyridin-3-ylmethanol
- Englischer Name
- (3-pyridyl)methyl alcohol
- Summenformel
- C6H7NO
- Molmasse
- 109
Namen und Synonyme
3-PYRIDINEMETHANOL100-55-0pyridin-3-ylmethanolNicotinyl alcohol3-(Hydroxymethyl)pyridine3-Pyridylcarbinol3-PyridylmethanolNicotinic alcohol3-PyridinylmethanolPyridylcarbinolPyridine-3-carbinolPyridine-3-methanol
Weitere Namen anzeigen
(3-pyridyl)methyl alcohol
Pyridylmethanolbeta-PyridylcarbinolNU-21213-Picolyl alcoholbeta-Picolyl alcoholbeta-PyridinecarbinolRo-1-51553-Hydroxymethylpyridine
Datenbank-Bezeichner
- CAS
744221-34-9- ChEMBL
CHEMBL1235535- ChEBI
CHEBI:45213- UNII
- 9TF312056Y
- EC Number
- 202-864-6
- Nikkaji
- J4.983B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 33,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 65,5
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyridines
DrugsPharmaceuticals -> Listed in ZINC15
CosmeticsTonic
SpringerMaterials PropertiesChemical shift
LogP-0.02
Vapor Pressure0.02 [mmHg]
Physical DescriptionHighly hygroscopic liquid; [Merck Index] Clear light yellow to yellow hygroscopic liquid; [Acros Organics MSDS]
Collision Cross Section119.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID6023367]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H315 (91.7%): Causes skin irritation [Warning Skin corrosion/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 60 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Status: Active Update: 07-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22223
3-Pyridylmethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
No fetal toxicity observed in mice orally administered up to 1,000 mg/kg during organogenesis; [Shepard's Catalog of Teratogenic Agents] Intravenous LD50 (mouse) = 1,000 mg/kg; [RTECS] An irritant; Harmful by ingestion; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (91.7%)
Chemie und Industrie
Pharmakologische Informationen
ATC Code
C - Cardiovascular system
C - Cardiovascular system
QC - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Verwendung und Herstellung
UsesUsed to solubilize riboflavin and as a peripheral vasodilator; [Merck Index] Alcohol analog of nicotinic acid; A direct-acting peripheral vasodilator that is used in vasospasm and threatened gangrene; [ChemIDplus]
Use ClassificationCosmetics -> Tonic
General Manufacturing Information3-Pyridinemethanol: ACTIVE
Anbieter1 Anbieter
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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