Grundinformationen
- Standard-SMILES
NC(=O)C12CC3CC(CC(C3)C1)C2- InChIKey
CKBZJTAMRPPVSR-UHFFFAOYSA-N- Summenformel
- C11H17NO
- Durchschnittliche Molmasse
- 179,26 g/mol
- Monoisotopische Masse
- 179,13101416
Namen und Bezeichner
- Bevorzugter Name
- Tricyclo(3.3.1.13,7)decane-1-carboxamide
- IUPAC
- adamantane-1-carboxamide
- Englischer Name
- 1-ADAMANTANECARBOXAMIDE
- Summenformel
- C11H17NO
- Molmasse
- 179.26
Namen und Synonyme
1-ADAMANTANECARBOXAMIDE5511-18-2Tricyclo(3.3.1.13,7)decane-1-carboxamideDTXSID30203628RefChem:429050DTXCID60126119adamantane-1-carboxamideMFCD00077200adamantanecarboxamideBRN 2047887admantane-1-carboxamidetricyclo[3.3.1.1~3,7~]decane-1-carboxamide
Weitere Namen anzeigen
OTAVA-BB BB5030040657SALOR-INT L496057-1EALABOTEST-BB LT00007835Adamantane Impurity 141-Adamantanecarboxamide,98%1-Adamantanecarboxamide >8-Quinolinol sulfate hydrate
STL290663CS-0149960EN300-17187119-Minocycline-d6 Disulfate SaltTricyclo(3.3.1.1(sup 3,7))decane-1-carboxamide1-Adamantyl-carboxamide1-adamantane carboxamideFT-0621897
Datenbank-Bezeichner
- CAS
5511-18-2- PubChem CID
- 21686
- DTXSID
DTXSID30203628- ChEMBL
CHEMBL2041315- EC Number
- 640-514-8
- Nikkaji
- J55.145G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2
- Polarare Oberfläche (TPSA)
- 43,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 218
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesBoiling point
Physikochemische Eigenschaften
- Schmelzpunkt
- 188 · 188-190 °C(lit.)
- Siedepunkt
- 311.8 °C · 311.8°C (rough estimate)
- Dichte
- 1.002 · 1.0020 (rough estimate)
- Brechungsindex
- 1.5065 · 1.5065 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform, Dichloromethane, Methanol
- Aggregatzustand
- Solid
- pka
- 16.85 · 16.85±0.20(Predicted)
- Farbe
- White
- BRN
- 2047887 · 2047887
- InChI
- 1S/C11H17NO/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H2,12,13)/t7-,8+,9-,11-
- InChIKey
- CKBZJTAMRPPVSR-KJZNFTALSA-N
- SMILES
- NC(=O)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
- CAS Datenbank
- 5511 · 5511-18-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29242990
- RTECS-Nr.
- AU4452000
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenReproduction of Sindbis virus strains sensitive and resistant to 1-adamantanecarboxamide
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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