Hexahydro-1,3,5-trimethyl-1,3,5-triazin

1,3,5-Trimethyl-1,3,5-triazacyclohexane

HCID 7952CAS 108-74-7

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Grundinformationen

Standard-SMILES: CN1CN(C)CN(C)C1
InChIKey: DPMZXMBOYHBELT-UHFFFAOYSA-N
Summenformel: C6H15N3
Durchschnittliche Molmasse: 129,2 g/mol
Monoisotopische Masse: 129,12659748

Namen und Bezeichner

Bevorzugter Name: 1,3,5-Trimethyl-1,3,5-triazacyclohexane
IUPAC: 1,3,5-trimethyl-1,3,5-triazinane
Lokaler Name: Hexahydro-1,3,5-trimethyl-1,3,5-triazin
Englischer Name: 1,3,5-Trimethylhexahydro-1,3,5-triazine
Summenformel: C6H15N3
Molmasse: 129.2

Namen und Synonyme

108-74-71,3,5-Trimethyl-1,3,5-triazinane1,3,5-Trimethylhexahydro-1,3,5-triazine1,3,5-Triazine, hexahydro-1,3,5-trimethyl-Hexahydro-1,3,5-trimethyl-1,3,5-triazine1,3,5-trimethyl-1,3,5-triazacyclohexaneUNII-91CT72PELC91CT72PELCNSC 166326DTXSID6051560EINECS 203-612-8BRN 0104191

Weitere Namen anzeigen

TIMTEC-BB SBB008536f7771F 7771Triazine MMATRIMETHYLCYCLOTRIMETHYLENETRIAMINE1,3,5-Trimethylhexahydro-s-triazine1,3,5-TRIMETHYLHEXAHYDRO-5-TRIAZINEhexahydro-1,3,5-trimethyl-s-triazin

AI3-51055EC 203-612-8NSC-166326DTXCID00301121,3,5-trimethylhexahydrotriazine4-26-00-00003 (Beilstein Handbook Reference)1,3,5-TRIMETHYLTRIMETHYLENETRIAMINEn,n',n''-trimethyl-1,3,5-triazacyclohexane

Datenbank-Bezeichner

CAS: 108-74-7
PubChem CID: 7952
DTXSID: DTXSID6051560
UNII: 91CT72PELC
EC Number: 203-612-8
Nikkaji: J22.134A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 9,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 63,3

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -27 °C · -27 °C
Siedepunkt: 162 · 162-163.5 °C
Dichte: 0.91 · 0.91
Dampfdruck: 3.4 hPa · 3.4hPa at 20℃
Brechungsindex: 1.461 · 1.461-1.463
Flammpunkt: 49 °C · 49 °C
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
pka: 6.5 · 6.50±0.20(Predicted)
Farbe: Colourless
Wasserlöslichkeit: 350 g/L · 350g/L at 25℃
InChI: 1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3
InChIKey: DPMZXMBOYHBELT-UHFFFAOYSA-N
SMILES: CN1CN(C)CN(C)C1
LogP: 0.76 · 0.76
CAS Datenbank: 108 · 108-74-7(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1,3,5-Triazine, hexahydro-1,3,5-trimethyl- (108-74-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 1.4% (1 of 74) of reports.

Danger

H226 (82.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 74 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1,3,5-Triazine, hexahydro-1,3,5-trimethyl-

1,3,5-Triazine, hexahydro-1,3,5-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine, hexahydro-1,3,5-trimethyl- 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: 08-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13293

1,3,5-Trimethylhexahydro-1,3,5-triazine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (82.4%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 1993
hs_code: 2933.69.6050
RTECS-Nr.: XY9300000
risk_code: 36/37/38-10-52/53-43-34-22
hazard_code: Xi,N,C
safety_code: 37/39-26-16-36/37/39-45
hazard_class: 3.2
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1STOT RE 2