1,5-Diazobicyclo[4.3.0]non-5-en

1,5-Diazabicyclo(4.3.0)non-5-ene

HCID 76349CAS 3001-72-7

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Grundinformationen

Standard-SMILES: C1CN=C2CCCN2C1
InChIKey: SGUVLZREKBPKCE-UHFFFAOYSA-N
Summenformel: C7H12N2
Durchschnittliche Molmasse: 124,18 g/mol
Monoisotopische Masse: 124,10004839

Namen und Bezeichner

Bevorzugter Name: 1,5-Diazabicyclo(4.3.0)non-5-ene
IUPAC: 2,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrimidine
Lokaler Name: 1,5-Diazobicyclo[4.3.0]non-5-en
Englischer Name: 1,5-Diazabicyclo[4.3.0]non-5-ene
Summenformel: C7H12N2
Molmasse: 124.18

Namen und Synonyme

3001-72-71,5-Diazabicyclo[4.3.0]non-5-ene2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine1,5-Diazabicyclo(4.3.0)non-5-ene978M4OL12QNSC-118106DTXSID101840872,3,4,6,7,8-hexahydropyrrolo(1,2-a)pyrimidineRefChem:417183diazabicyclo(4.3.0)nonenDTXCID20106578221-087-3

Weitere Namen anzeigen

DBN1,5-Diazabicyclo[4.3.0]non-5-ene,DBNDiazabicyclononene1,5-Diazabicyclonon-5-ene1,5-diazobicyclo[4.3.0]non-5-ene1,5-DiazabicycLo[4.3.0]non-5-eneDiazabicyclononene (DBN)

2H,3H,4H,6H,7H,8H-pyrrolo[1,2-a]pyrimidinePyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro-MFCD000055541,5-Diazabicyclo[4.3.0]-5-noneneUNII-978M4OL12QEINECS 221-087-31,5-diazabicyclo[4,3,0]non-5-eneNSC 118106

Datenbank-Bezeichner

CAS: 3001-72-7
PubChem CID: 76349
DTXSID: DTXSID10184087
ChEMBL: CHEMBL3303308
ChEBI: CHEBI:183972
UNII: 978M4OL12Q
Nikkaji: J151.114I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,2
Polarare Oberfläche (TPSA): 15,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Siedepunkt: 95 · 95-98 °C7.5 mm Hg(lit.)
Dichte: 1.005 g/mL · 1.005 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.519(lit.)
Flammpunkt: 202 °F · 202 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: soluble in Chloroform, Methanol
Aggregatzustand: Liquid
pka: 13.42 · 13.42±0.20(Predicted)
Farbe: Clear colorless to yellow
Wasserlöslichkeit: soluble
BRN: 2417 · 2417
InChI: 1S/C7H12N2/c1-3-7-8-4-2-6-9(7)5-1/h1-6H2
InChIKey: SGUVLZREKBPKCE-UHFFFAOYSA-N
SMILES: C1CN=C2CCCN2C1
CAS Datenbank: 3001 · 3001-72-7(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,5-diazabicyclo[4.3.0]non-5-ene(3001-72-7)

Sicherheit und Regulatorisches

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Pyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro-

1,5-Diazabicyclo(4.3.0)non-5-ene: Does not have an individual approval but may be used under an appropriate group standard

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Pyrrolo[1,2-a]pyrimidine, 2,3,4,6,7,8-hexahydro-

1,5-Diazabicyclo(4.3.0)non-5-ene: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

F: 1-3-8-10
wgk: 3
ridadr: UN 3267 8/PG 2
hs_code: 29335995
risk_code: 34
hazard_code: C
hazard_note: Corrosive/Air Sensitive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1,5-Diazabicyclo[4.3.0]non-5-ene is employed for dehydrohalogenation reactions and base-catalyzed rearrangements in organic synthesis. It is an amidine base used in organic synthesis. Further, it is used as a resin curing agent and polyurethane catalyst.