Grundinformationen
- Standard-SMILES
CN(C)C(=O)c1cccnc1- InChIKey
FJEVKYZLIRAAKE-UHFFFAOYSA-N- Summenformel
- C8H10N2O
- Durchschnittliche Molmasse
- 150,18 g/mol
- Monoisotopische Masse
- 150,07931294
Namen und Bezeichner
- Bevorzugter Name
- N,N-Dimethylnicotinamide
- IUPAC
- N,N-dimethylpyridine-3-carboxamide
- Lokaler Name
- N,N-Dimethylnicotinamid
- Englischer Name
- N,N-Dimethylnicotinamide
- Summenformel
- C8H10N2O
- Molmasse
- 150.18
Namen und Synonyme
N,N-DimethylnicotinamideN,N-DimethylniacinamideUNII-8T2WXO03YL8T2WXO03YLNSC-62007EINECS 230-209-4NSC 62007DTXSID702200113-PYRIDINECARBOXYLIC ACID,AMIDE,N,N-DIMETHYL; NICOTINIC ACID,AMIDE,N,N-DIMETHYLRefChem:161311DTXCID70142502FJEVKYZLIRAAKE-UHFFFAOYSA-N
Weitere Namen anzeigen
N,N-diamidedimethylnicotinamideNicotinamide Impurity 97N,N-Dimethylnicotinamide >3-(Dimethylcarbamoyl)pyridinenicotinic acid,amide,N,N-dimethylNICOTINAMIDE, N,N-DIMETHYL- (8CI)N,N-diMethyl-3-PyridinecarboxaMide
InChI=1/C8H10N2O/c1-10(2)8(11)7-4-3-5-9-6-7/h3-6H,1-2H6972-69-6N,N-Dimethylpyridine-3-carboxamideN,N-Dimethyl nicotinamideNicotinic acid dimethylamide3-Pyridinecarboxamide, N,N-dimethyl-Nicotinamide, N,N-dimethyl-MFCD00059169
Datenbank-Bezeichner
- CAS
6972-69-6- PubChem CID
- 81444
- DTXSID
DTXSID70220011- UNII
- 8T2WXO03YL
- EC Number
- 230-209-4
- Nikkaji
- J150.896B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,5
- Polarare Oberfläche (TPSA)
- 33,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 145
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesDensity
LogP-0.48
Physikochemische Eigenschaften
- Schmelzpunkt
- 44 °C · 44°C
- Siedepunkt
- 147 °C · 147 °C / 9mmHg
- Dichte
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- Aggregatzustand
- powder to crystal
- pka
- 3.92 · 3.92±0.10(Predicted)
- Farbe
- White to Light yellow
- InChI
- 1S/C8H10N2O/c1-10(2)8(11)7-4-3-5-9-6-7/h3-6H,1-2H3
- InChIKey
- FJEVKYZLIRAAKE-UHFFFAOYSA-N
- SMILES
- CN(C)C(=O)c1cccnc1
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2933399990
- risk_code
- 22
- hazard_code
- Xn
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
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