Grundinformationen
- Standard-SMILES
C1CNCCNC1- InChIKey
FQUYSHZXSKYCSY-UHFFFAOYSA-N- Summenformel
- C5H12N2
- Durchschnittliche Molmasse
- 100,16 g/mol
- Monoisotopische Masse
- 100,10004839
Namen und Bezeichner
- Bevorzugter Name
- Hexahydro-1,4-diazepine
- IUPAC
- 1,4-diazepane
- Lokaler Name
- Perhydro-1,4-diazepin
- Englischer Name
- Homopiperazine
- Summenformel
- C5H12N2
- Molmasse
- 100.16
Namen und Synonyme
Homopiperazine505-66-81,4-Diazacycloheptane1H-1,4-Diazepine, hexahydro-Hexahydro-1,4-diazepineTrimethyleneethylenediaminePerhydro-1,4-diazepinehexahydro-1H-1,4-diazepineBRN 0102711EINECS 208-016-195CL167W8TDTXSID1060130
Weitere Namen anzeigen
HPRZGao PaiqinhoMopiperazateHigh-piperazineHomo-PiperazinesAKOS BBS-000042781,4-Diazepane 97%
5-23-03-00240 (Beilstein Handbook Reference)RefChem:786109DTXCID4040848208-016-1InChI=1/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H1,4-Diazepane[1,4]DiazepaneMFCD00006933
Datenbank-Bezeichner
- CAS
505-66-8- PubChem CID
- 68163
- DTXSID
DTXSID1060130- UNII
- 95CL167W8T
- EC Number
- 208-016-1
- Nikkaji
- J53.916C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,5
- Polarare Oberfläche (TPSA)
- 24,1 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 39
Experimentelle und physikochemische Eigenschaften
Kovats Retention Index1525
Physikochemische Eigenschaften
- Schmelzpunkt
- 38 · 38-40 °C (lit.)
- Siedepunkt
- 169 °C · 169 °C (lit.)
- Dichte
- 0.95 · 0.95
- Brechungsindex
- 1.4378 · 1.4378 (estimate)
- Flammpunkt
- 148 °F · 148 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 11.02 · 11.02±0.20(Predicted)
- Aggregatzustand
- Crystalline Mass
- Farbe
- White to light yellow
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 102711 · 102711
- InChI
- 1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
- InChIKey
- FQUYSHZXSKYCSY-UHFFFAOYSA-N
- SMILES
- C1CNCCNC1
- CAS Datenbank
- 505 · 505-66-8(CAS DataBase Reference)
- NIST chemische Informationen
- Homopiperazine(505-66-8)
- EPA chemische Informationen
- 1 H-1,4-Diazepine, · 1H-1,4-Diazepine, hexahydro- (505-66-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H311 (95.5%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (66.9%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P262, P264, P264+P265, P270, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P361+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information1,4-Diazacycloheptane: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (95.5%)；Skin Corr. 1B (100%)；Eye Dam. 1 (66.9%)
Regulatorische Informationen
Regulatory Information1,4-Diazacycloheptane: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- F
- 3-10-23
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 3259 8/PG 2
- hs_code
- 29339900
- RTECS-Nr.
- HM3850000
- risk_code
- 21-34
- hazard_code
- C,Xi
- hazard_note
- Irritant/Corrosive
- safety_code
- 26-36/37/39-45-27
- 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 DermalSkin Corr. 1B
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1H-1,4-Diazepine, hexahydro-: ACTIVE
Anwendungen
VerwendenHomopiperazine is used to prepare 1,4-bis-(2-thiazolyl)-1,4-diazacycloheptane by reacting with 2-bromo-thiazole. It acts as an intermediate for repaglinide and fasudil hydrochloride. It is also used in the preparation of potent H3 receptor antagonists, which is used for the treatment of neurodegenerative conditions. Further, it is used in vesicant, cosmetic, emulsifier and energetic material. It acts as a corrosion inhibitor for iron. In pharmaceuticals, it is employed as antipyretic and reducing blood sugar, adiposity, calm, antipsychotic and anti-nervous.
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