Grundinformationen
- Standard-SMILES
OCCCc1cccnc1- InChIKey
ZUGAIMFLQLPTKB-UHFFFAOYSA-N- Summenformel
- C8H11NO
- Durchschnittliche Molmasse
- 137,18 g/mol
- Monoisotopische Masse
- 137,08406397
Namen und Bezeichner
- Bevorzugter Name
- 3-Pyridinepropanol
- IUPAC
- 3-pyridin-3-ylpropan-1-ol
- Lokaler Name
- 3-(3-Pyridyl)propan-1-ol
- Englischer Name
- 3-Pyridinepropanol
- Summenformel
- C8H11NO
- Molmasse
- 137.18
Namen und Synonyme
3-Pyridinepropanol2859-67-83-(3-PYRIDYL)-1-PROPANOL3-(3-Hydroxypropyl)pyridine3-Propanolpyridine3-pyridin-3-ylpropan-1-ol3-(3-Pyridyl)propanolDTXSID5022198EINECS 220-675-7NSC 66564BRN 0112609DTXCID302198
Weitere Namen anzeigen
3-Pyridine-1-propanol3-Pyridinepropanol>3-Pyridinepropanol 98%3-(3-Pyridinyl)-1-propanol
5-21-02-00237 (Beilstein Handbook Reference)RefChem:95404InChI=1/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6HZUGAIMFLQLPTKB-UHFFFAOYSA-N3-(Pyridin-3-Yl)Propan-1-Ol3-(3-Pyridyl)propan-1-olMFCD000064143-Pyridin-3-yl-propan-1-ol
Datenbank-Bezeichner
- CAS
2859-67-8- PubChem CID
- 17861
- DTXSID
DTXSID5022198- ChEMBL
CHEMBL3229431- UNII
- JEX9VDX72H
- EC Number
- 220-675-7
- Nikkaji
- J51.338E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 33,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 85,3
Experimentelle und physikochemische Eigenschaften
LogP0.6
Collision Cross Section128.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID5022198]
Physikochemische Eigenschaften
- Siedepunkt
- 130 · 130-133 °C/3 mmHg (lit.)
- Dichte
- 1.063 g/mL · 1.063 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.53(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- clear liquid
- pka
- 14.96 · 14.96±0.10(Predicted)
- Farbe
- Colorless to Light yellow to Light orange
- InChI
- 1S/C8H11NO/c10-6-2-4-8-3-1-5-9-7-8/h1,3,5,7,10H,2,4,6H2
- InChIKey
- ZUGAIMFLQLPTKB-UHFFFAOYSA-N
- SMILES
- OCCCc1cccnc1
- CAS Datenbank
- 2859 · 2859-67-8(CAS DataBase Reference)
- NIST chemische Informationen
- 3 · 3-Pyridinepropanol(2859-67-8)
- EPA chemische Informationen
- 3 · 3-Pyridinepropanol (2859-67-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (97.6%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933399990
- RTECS-Nr.
- UT7390000
- risk_code
- 36/37/38
- Toxizität
- mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01584,
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information3-Pyridinepropanol: INACTIVE
Anwendungen
Verwenden3-(Pyridin-3-yl)propanol is a reagent in the synthesis of pyridylalcohols that exhibits hypoglycemic activity in fasted rats.
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