Grundinformationen
- Standard-SMILES
CC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
BCVXYGJCDZPKGV-UHFFFAOYSA-N- Summenformel
- C12H19NO
- Durchschnittliche Molmasse
- 193,28 g/mol
- Monoisotopische Masse
- 193,14666423
Namen und Bezeichner
- Bevorzugter Name
- 1-Acetamidoadamantane
- IUPAC
- N-(1-adamantyl)acetamide
- Lokaler Name
- N-tricyclo[3.3.1.13,7]dec-1-ylacetamid
- Englischer Name
- N-(1-Adamantyl)acetamide
- Summenformel
- C12H19NO
- Molmasse
- 193.29
Namen und Synonyme
1-Acetamidoadamantane880-52-4n-adamantylacetamideN-1-AdamantylacetamideAcetamide, N-tricyclo(3.3.1.13,7)dec-1-yl-5283Y1VOIIN-ACETYL AMANTADINEAcetamide, N-tricyclo[3.3.1.13,7]dec-1-yl-NSC-527917DTXSID9061255N-Tricyclo(3.3.1.13,7)dec-1-ylacetamideN-(TRICYCLO(3.3.1.13,7)DEC-1-YL)ACETAMIDE
Weitere Namen anzeigen
AcetamantadineAcyladamantamineAcetaMidoadaMantane1-Adamantylacetamide1-AcetamidodamantaneAdamantane acetamide1-acetyladamantanamine
AMANTADINE HYDROCHLORIDE IMPURITY B (EP IMPURITY)AMANTADINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]RefChem:1113325212-914-9N-(1-Adamantyl)acetamideN-(adamantan-1-yl)acetamideN-Acetyl Adamantamine1-Acetylaminoadamantane
Datenbank-Bezeichner
- CAS
880-52-4- PubChem CID
- 64153
- DTXSID
DTXSID9061255- UNII
- 5283Y1VOII
- EC Number
- 212-914-9
- Nikkaji
- J286K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,2
- Polarare Oberfläche (TPSA)
- 29,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 230
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 · 148-149 °C(lit.)
- Siedepunkt
- 329.52 °C · 329.52°C (rough estimate)
- Dichte
- 0.9854 · 0.9854 (rough estimate)
- Brechungsindex
- 1.4596 · 1.4596 (estimate)
- storage temp.
- 0 · 0-6°C
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- Crystalline Powder
- pka
- 16.16 · 16.16±0.20(Predicted)
- Farbe
- White to yellow
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)
- InChIKey
- BCVXYGJCDZPKGV-UHFFFAOYSA-N
- SMILES
- C(NC12CC3CC(CC(C3)C1)C2)(=O)C
- CAS Datenbank
- 880 · 880-52-4(CAS DataBase Reference)
- NIST chemische Informationen
- N-(1-adamantyl)acetamide(880-52-4)
- EPA chemische Informationen
- 3.3 · Acetamide, N-tricyclo[3.3.1.13,7]dec-1-yl- (880-52-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (91.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationREACH registered substance: N-tricyclo[3.3.1.13,7]dec-1-ylacetamide (EC: 212-914-9)
Hazard Classes and CategoriesAcute Tox. 4 (91.1%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29242998
- RTECS-Nr.
- AB4308000
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 36-24/25-26
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationAcetamide, N-tricyclo[3.3.1.13,7]dec-1-yl-: ACTIVE
Anwendungen
VerwendenA metabolite of Adamantamine
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