Nortropine
Grundinformationen
- CAS
538-09-0- Standard-SMILES
OC1C[C@H]2CC[C@@H](C1)N2- InChIKey
YYMCYJLIYNNOMK-MEKDEQNOSA-N- Summenformel
- C7H13NO
- Durchschnittliche Molmasse
- 127,18 g/mol
- Monoisotopische Masse
- 127,09971404
Namen und Bezeichner
- Bevorzugter Name
- Nortropine
- IUPAC
- (1S,5R)-8-azabicyclo[3.2.1]octan-3-ol
- Englischer Name
- Nortropine
- Summenformel
- C7H13NO
- Molmasse
- 127.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
538-09-0- PubChem CID
- 73480
- EC Number
- 700-286-3
- Nikkaji
- J12.188F、J86.691A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 32,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 103
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 108 · 108-110°C
- Siedepunkt
- 229.6 °C · 229.6 °C
- Dichte
- 1.096 · 1.096
- Brechungsindex
- 1.52 · 1.52
- Flammpunkt
- 116.8 °C · 116.8 °C
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly), Water
- Aggregatzustand
- Solid
- pka
- 14.89 · 14.89±0.20(Predicted)
- Farbe
- Off-White to Light Beige
- InChI
- InChI=1/C7H13NO/c9-7-3-5-1-2-6(4-7)8-5/h5-9H,1-4H2/t5-,6+,7+
- InChIKey
- YYMCYJLIYNNOMK-ZMONIFLSNA-N
- SMILES
- O[C@@H]1C[C@@H]2CC[C@@H](N2)C1 |&1:1,3,6,r|
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral];H303 (12.5%): May be harmful if swallowed [Warning Acute toxicity, oral];H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal];H319 (12.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 4 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
Regulatorische Informationen
Sicherheitsdaten
- hs_code
- 2904200090
- RTECS-Nr.
- RD0700000
Chemie und Industrie
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionNortropine, also known as Nortropenol, is isolated from the total alkaloids of Convolvulus subhirsutus. This compound is an intermediate in tropine breakdown and reactions leading to succinate.
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