Grundinformationen
- Standard-SMILES
Oc1cccc(N2CCNCC2)c1- InChIKey
AYGYICRITMSJOC-UHFFFAOYSA-N- Summenformel
- C10H14N2O
- Durchschnittliche Molmasse
- 178,23 g/mol
- Monoisotopische Masse
- 178,11061307
Namen und Bezeichner
- Bevorzugter Name
- 1-(3-Hydroxyphenyl)piperazine
- IUPAC
- 3-piperazin-1-ylphenol
- Englischer Name
- 1-(3-Hydroxyphenyl)piperazine
- Summenformel
- C10H14N2O
- Molmasse
- 178.23
Namen und Synonyme
59817-32-21-(3-Hydroxyphenyl)piperazineDTXSID00371469RefChem:224430DTXCID10322503626-688-83-(piperazin-1-yl)phenol3-piperazin-1-ylphenol1-(3-Hydroxyphenyl) piperazine3-(1-piperazinyl)phenoln-(3-hydroxyphenyl)piperazinePhenol, 3-(1-piperazinyl)-
Weitere Namen anzeigen
RARECHEM AH CK 0118Letomovir impurity 203-(Piperazin-1-yl)phenol 97%Phenol, 3-(1-piperazinyl)- (9CI)1-(3-Hydroxyphenyl)piperazine 97%
MFCD000528961-(3-HYDROXYPHENYL)-PIPERAZINE3-(1-Piperazino)phenol3-piperazinylphenol3-hydroxyphenylpiperazine3-piperazin-1-yl-phenol3-hydroxyphenyl piperazine3-piperazine-1-yl-phenol
Datenbank-Bezeichner
- CAS
59817-32-2- PubChem CID
- 2736597
- DTXSID
DTXSID00371469- UNII
- E3L3E63W9X
- EC Number
- 626-688-8
- Nikkaji
- J2.085.760I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 157
Physikochemische Eigenschaften
- Schmelzpunkt
- 217 · 217-221 °C (lit.)
- Siedepunkt
- 371.3 · 371.3±27.0 °C(Predicted)
- Dichte
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- pka
- 10.33 · 10.33±0.10(Predicted)
- Aggregatzustand
- solid
- BRN
- 4248583 · 4248583
- InChI
- InChI=1S/C10H14N2O/c13-10-3-1-2-9(8-10)12-6-4-11-5-7-12/h1-3,8,11,13H,4-7H2
- InChIKey
- AYGYICRITMSJOC-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=CC(N2CCNCC2)=C1
- CAS Datenbank
- 59817 · 59817-32-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301 (86.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 3 (86.7%)
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 2933599590
- risk_code
- 22-37/38-41
- hazard_code
- Xn,C
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3
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