CAS 1484-84-0 2-Piperidin-2-ylethanol (HCID 15144)

Namen und Bezeichner

Bevorzugter Name: 2-Piperidin-2-ylethanol
IUPAC: 2-piperidin-2-ylethanol
Lokaler Name: 2-Piperidin-2-ylethanol
Englischer Name: 2-Piperidineethanol
Summenformel: C7H15NO
Molmasse: 129.2

Namen und Synonyme

1484-84-02-(2-Hydroxyethyl)piperidine2-(piperidin-2-yl)ethanol2-Piperidin-2-ylethanol2-Piperidine ethanol2-(2-Piperidinyl)ethanolUNII-EHY6X8X6JQEHY6X8X6JQJ133CNSC 9261NSC-9261EINECS 216-059-2

Weitere Namen anzeigen

PIPERIDINE-2-ETHANOL(S)-2-Piperidineethanol2-PIPERIDIN-2-YL-ETHANOL2PPRE2-PIPERIDYLETHANOL2-Piperidenethanolβ-Piperidylethanol

AI3-36432PTHDBHDZSMGHKF-UHFFFAOYSA-EC 216-059-2RefChem:197930(+-)-2-PIPERIDINEETHANOLInChI=1/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H22-PIPERIDINEETHANOL2-(2-piperidyl)ethan-1-ol

Datenbank-Bezeichner

CAS: 1484-84-0
PubChem CID: 15144
DTXSID: DTXSID3044837
ChEMBL: CHEMBL3188566
UNII: EHY6X8X6JQ
EC Number: 216-059-2
Nikkaji: J133C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 32,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 9
Formalladung: 0
Komplexität: 75,3

Experimentelle und physikochemische Eigenschaften

LogP0.11

Collision Cross Section126.6 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3044837]

Physikochemische Eigenschaften

Schmelzpunkt: 38 · 38-40 °C (lit.)
Siedepunkt: 234 °C · 234 °C (lit.)
Dichte: 1.01 · 1.01
Dampfdruck: 0.75 · 0.75-13.04Pa at 20-50℃
Brechungsindex: 1.4749 · 1.4749 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Methanol
Aggregatzustand: Crystalline Low Melting Solid
pka: 15.15 · 15.15±0.10(Predicted)
Farbe: White to pale yellow
Geruch (Odor): Mild, sweet, nauseating-floral, warm-herbaceous odor of moderate tenacity.
Wasserlöslichkeit: soluble
Henry's Law Constant: 3.9 · 3.9×102 mol/(m3Pa) at 25℃, Du et al. (2017)
InChI: 1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2
InChIKey: PTHDBHDZSMGHKF-UHFFFAOYSA-N
SMILES: OCCC1CCCCN1
LogP: 0.263 at · 0.263 at 22.5℃
Oberflächenspannung: 60.75 mN/m · 60.75mN/m at 1g/L and 20℃
CAS Datenbank: 1484 · 1484-84-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-(2-Hydroxyethyl)piperidine(1484-84-0)
EPA chemische Informationen: 2 · 2-Piperidineethanol (1484-84-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 86 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2-Piperidineethanol

2-Piperidineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Piperidineethanol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 01-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18066

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3263 8/PG 2
hs_code: 29339900
risk_code: 20/21/22-34-36/37/38
hazard_code: C,Xi
safety_code: 26-27-28-36/37/39-45-24/25
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb

General Manufacturing Information2-Piperidineethanol: ACTIVE

Anwendungen

Verwenden2-Piperidineethanol is useful in preparation of a novel class of pyrazolopyrimidines as inhibitors of protein and checkpoint kinases useful in treatment and prophylaxis of HCV infection and other diseases such as cancer.