Grundinformationen
- Standard-SMILES
C1C2CC3CC1CC(C2)C3- InChIKey
ORILYTVJVMAKLC-UHFFFAOYSA-N- Summenformel
- C10H16
- Durchschnittliche Molmasse
- 136,23 g/mol
- Monoisotopische Masse
- 136,12520051
Namen und Bezeichner
- Bevorzugter Name
- Adamantane
- IUPAC
- adamantane
- Lokaler Name
- Tricyclo[3.3.1.13,7]decan
- Englischer Name
- Adamantane
- Summenformel
- C10H16
- Molmasse
- 136.23
Namen und Synonyme
ADAMANTANE281-23-2Tricyclo[3.3.1.13,7]decaneTricyclo[3.3.1.1(3,7)]decaneTricyclo(3.3.1.13,7)decanePJY633525UNSC-527913DTXSID5022017CHEBI:40519tricyclo(3.3.1.1(3,7))decaneRefChem:388771DTXCID302017
Weitere Namen anzeigen
AdamentanediadamantaneTRICYCLODECANEAdamantane,98%HOMOADAMANTANEAdamantane >[6]diadamantane
206-001-4Adamantantricyclo[3.3.1.1~3,7~]decaneMFCD00074719A 0696; NSC 527913tricyclo[3.3.1.13,7]decantricyclo[3.3.1.1]decaneAdamantane; Tricyclo[3.3.1.1(3),7]decane
Datenbank-Bezeichner
- CAS
281-23-2- PubChem CID
- 9238
- DTXSID
DTXSID5022017- ChEMBL
CHEMBL1230831- ChEBI
CHEBI:40519- UNII
- PJY633525U
- EC Number
- 206-001-4
- Nikkaji
- J45.672A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 75
Experimentelle und physikochemische Eigenschaften
Physical DescriptionWhite crystalline powder; [Alfa Aesar MSDS]
Kovats Retention Index
1121；1117；1120；1120；1149；1160；1160；1149；1113；1116；1117；1118；1120；1116；1113；1117；1120；1125；1120；1128
1136.9；1116；1116；1116；1167；1135.3；1095.2；1095；1104；1114；1137.6；1095；1104；1114；1123；1123；1144
1400；1325；1325；1363；1320；1339；1363；1400；1363
Physikochemische Eigenschaften
- Schmelzpunkt
- 209 · 209-212 °C (subl.) (lit.)
- Siedepunkt
- 185.55 °C · 185.55°C (rough estimate)
- Dichte
- 1 · 1,07 g/cm3
- Brechungsindex
- 1.568 · 1.5680
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 0.00021 g/l · 0.00021g/l slightly soluble
- Aggregatzustand
- Crystals or Crystalline Powder
- Wichte
- 1.07 · 1.07
- Farbe
- White to beige
- Wasserlöslichkeit
- Insoluble in water.
- Merck
- 14 · 14,149
- BRN
- 1901173 · 1901173
- Henry's Law Constant
- 8 · 8.0×10-4 mol/(m3Pa) at 25℃, Roon et al. (2005)
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents.
- InChI
- 1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+
- InChIKey
- ORILYTVJVMAKLC-UHFFFAOYSA-N
- SMILES
- C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3
- LogP
- 4.24 · 4.240
- CAS Datenbank
- 281 · 281-23-2(CAS DataBase Reference)
- NIST chemische Informationen
- Adamantane(281-23-2)
- EPA chemische Informationen
- 3.3 · Tricyclo[3.3.1.13,7]decane (281-23-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H319 (13%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H400 (94.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: Tricyclo[3.3.1.13,7]decane
Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20053
Tricyclo3.3.1.13,7decane: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA mild eye irritant; Causes abnormal renal function tests in acute inhalation studies of rats; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesEye Irrit. 2 (13%)；Aquatic Acute 1 (94.4%)
Regulatorische Informationen
Regulatory Information
Chemical: Tricyclo[3.3.1.13,7]decane
Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20053
Tricyclo3.3.1.13,7decane: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29021990
- RTECS-Nr.
- YK0493000
- risk_code
- 36/37/38-50
- hazard_code
- Xi,N
- hazard_note
- Irritant
- safety_code
- 24/25-36-26-61
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 4
- Selbstentzündungstemperatur
- 287 °C
Chemie und Industrie
Verwendung und Herstellung
UsesThe diamine compound: used as a curing agent for epoxy resins; [Merck Index]
General Manufacturing InformationTricyclo[3.3.1.13,7]decane: ACTIVE
Anwendungen
VerwendenAdamantane is mainly used for the synthesis of medicine to treat influenza, serve as NMDA receptor channel blockers. Also be used for preparation of advanced lubricants, photographic material, surface active agents, catalysts and other products.
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Ergänzende Hinweise
Definitionadamantane: A colourless crystallinehydrocarbon C10H16; m.p.269°C. It is found in certain petroleumfractions. The structure containsthree symmetrically fusedcyclohexane rings.
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