1,4,5,6-Tetrahydro-1,2-dimethylpyrimidin

Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-

HCID 77953CAS 4271-96-9

Grundinformationen

Standard-SMILES
CC1=NCCCN1C
InChIKey
ZFDWWDZLRKHULH-UHFFFAOYSA-N
Summenformel
C6H12N2
Durchschnittliche Molmasse
112,17 g/mol
Monoisotopische Masse
112,10004838

Namen und Bezeichner

Bevorzugter Name
Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-
IUPAC
1,2-dimethyl-5,6-dihydro-4H-pyrimidine
Lokaler Name
1,4,5,6-Tetrahydro-1,2-dimethylpyrimidin
Englischer Name
1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine
Summenformel
C6H12N2
Molmasse
112.17

Namen und Synonyme

1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine1,4,5,6-Tetrahydro-1,2-dimethylpyrimidinePyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-2,3-DimethyltetrahydropyrimidineF4M3LG4PSUEINECS 224-262-22,3-dimethyl-3,4,5,6-tetrahydropyrimidineDTXSID3063382EC 224-262-2Pyrimidine, 3,4,5,6-tetrahydro-2,3-dimethyl-PYRANTEL EMBONATE IMPURITY D [EP IMPURITY]MORANTEL HYDROGEN TARTRATE IMPURITY C [EP IMPURITY]
Weitere Namen anzeigen
DMTHPMPyrantel Impurity D1,2-Dimethyl-1,4,5,6Phenytoin Impurity 12-1,4,5,6-tetrahydropyrimidinePyrantel impurity D (Y0001817)Pyrantel embonate EP Impurity DDi Methyl Tetra Hydro Pyrimidine
PYRANTEL EMBONATE IMPURITY D (EP IMPURITY)MORANTEL HYDROGEN TARTRATE IMPURITY C (EP IMPURITY)RefChem:177756DTXCID3040140ZFDWWDZLRKHULH-UHFFFAOYSA-N4271-96-91,2-dimethyl-5,6-dihydro-4H-pyrimidineMFCD00036056

Datenbank-Bezeichner

CAS
4271-96-9
PubChem CID
77953
DTXSID
DTXSID3063382
UNII
F4M3LG4PSU
EC Number
224-262-2
Nikkaji
J39.645A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,2
Polarare Oberfläche (TPSA)
15,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
0
Schwere Atome
8

Physikochemische Eigenschaften

Siedepunkt
125 °C · 125°C (115 mmHg)
Dichte
0 · 0,98 g/cm3
Flammpunkt
73 °C · 73°C
storage temp.
2 · 2-8°C
Löslichkeit
Acetone (Sparingly), Chloroform (Sparingly), DMSO (Sparingly), Methanol(Sparingly)
pka
13.42 · 13.42±0.20(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Chemical: Pyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-

Status: Active Update: 09-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17760

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
WGK 3
tsca
TSCA listed
ridadr
3267
hs_code
2933599590
risk_code
22-34
hazard_code
Xi

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPyrimidine, 1,4,5,6-tetrahydro-1,2-dimethyl-: ACTIVE

Anwendungen

Verwenden1,2-Dimethyl-1,4,5,6-tetrahydropyrimidine is a reagent used in the synthesis of pyrantel derivatives with nematocidal activity. Also used as a reactant in the preparation of hapten antibodies that evoke terpenoid cyclization.

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