7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene

HCID 123583CAS 84030-20-6

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Grundinformationen

Standard-SMILES: CN1CCCN2CCCN=C12
InChIKey: OEBXWWBYZJNKRK-UHFFFAOYSA-N
Summenformel: C8H15N3
Durchschnittliche Molmasse: 153,22 g/mol
Monoisotopische Masse: 153,12659748

Namen und Bezeichner

Bevorzugter Name: 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
IUPAC: 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
Englischer Name: 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimidol[1,2-a]pyrimidine
Summenformel: C8H15N3
Molmasse: 153.22

Namen und Synonyme

7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido(1,2-a)pyrimidine2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-EINECS 281-791-1DTXSID702329327-methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene2H-Pyrimido(1,2-a)pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-RefChem:106326DTXCID00155423281-791-1OEBXWWBYZJNKRK-UHFFFAOYSA-N

Weitere Namen anzeigen

CATALYST MTBD7-Methyl-1,5,7-triazabicyclo[4.4.]dec-5-ene7-methyl-1,5,7-triazadicyclo[4.4.0]decyl-5-ene7-Methyl-1,5,7-triazabicyclo[4.4.0]decane-5-ene7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene>

84030-20-6MTBD1-Methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidineMFCD000430041-Methyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidineS8JQ539BWX1-methyl-1H,2H,3H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidine

Datenbank-Bezeichner

CAS: 84030-20-6
PubChem CID: 123583
DTXSID: DTXSID70232932
UNII: S8JQ539BWX
EC Number: 281-791-1
Nikkaji: J267.465C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 18,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Siedepunkt: 75 · 75-79 °C0.1 mm Hg(lit.)
Dichte: 1.067 g/mL · 1.067 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.537(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · Inert atmosphere,2-8°C
pka: 14.37 · 14.37±0.20(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Yellow to Orange
BRN: 7635759 · 7635759
InChI: InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3
InChIKey: OEBXWWBYZJNKRK-UHFFFAOYSA-N
SMILES: C12=NCCCN1CCCN2C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Danger

H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (97.7%)

Sicherheitsdaten

F: 10
wgk: 3
ridadr: UN 3267 8/PG 2
hs_code: 29335990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene may be used in microwave-promoted, palladium-catalyzed C-N bond-forming reactions with aryl/heteroaryl nonaflates and amines. It may be used as strong base to investigate the podand solvents, tris(oxaalkyl)phenylsilanes and tris(oxaalkyl)phosphates.