Grundinformationen
- Standard-SMILES
Cn1c(N)cc(=O)n(C)c1=O- InChIKey
VFGRNTYELNYSKJ-UHFFFAOYSA-N- Summenformel
- C6H9N3O2
- Durchschnittliche Molmasse
- 155,15 g/mol
- Monoisotopische Masse
- 155,06947653
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 6-Amino-1,3-dimethyluracil
- IUPAC
- 6-amino-1,3-dimethylpyrimidine-2,4-dione
- Lokaler Name
- 6-Amino-1,3-dimethyluracil
- Englischer Name
- 6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
- Summenformel
- C6H9N3O2
- Molmasse
- 155.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6642-31-5- PubChem CID
- 81152
- DTXSID
DTXSID4074350- EC Number
- 229-662-0
- Nikkaji
- J49.015F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 66,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 246
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 295 °C · 295 °C (dec.) (lit.)
- Siedepunkt
- 243.1 · 243.1±43.0 °C(Predicted)
- Dichte
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- 6 g/l · 6g/l
- Aggregatzustand
- Solid
- pka
- 5.17 · 5.17±0.70(Predicted)
- Farbe
- Pale Beige
- PH
- 6.9 · 6.9 (100g/l, H2O, 20℃)
- Wasserlöslichkeit
- 7.06 g/L · 7.06g/L(25 ºC)
- InChI
- 1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3
- InChIKey
- VFGRNTYELNYSKJ-UHFFFAOYSA-N
- SMILES
- CN1C(N)=CC(=O)N(C)C1=O
- LogP
- -0.4 at · -0.4 at 20℃
- CAS Datenbank
- 6642 · 6642-31-5(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl- (6642-31-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 98.2% (164 of 167) of all reports.
Not Classified
Aggregated GHS information provided per 167 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-
2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 18-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10736
2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29335990
- RTECS-Nr.
- YQ8755000
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-: ACTIVE
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