Grundinformationen
- Standard-SMILES
CCCCCCCCCCN(C)C- InChIKey
YWWNNLPSZSEZNZ-UHFFFAOYSA-N- Summenformel
- C12H27N
- Durchschnittliche Molmasse
- 185,35 g/mol
- Monoisotopische Masse
- 185,21434986
Namen und Bezeichner
- Bevorzugter Name
- N,N-Dimethyl-N-decylamine
- IUPAC
- N,N-dimethyldecan-1-amine
- Lokaler Name
- Decyldimethylamin
- Englischer Name
- N,N-Dimethyldecylamine
- Summenformel
- C12H27N
- Molmasse
- 185.35
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1120-24-7- PubChem CID
- 70711
- DTXSID
DTXSID1049566- UNII
- 34L85I6946
- EC Number
- 214-302-7
- Nikkaji
- J203.348H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,3
- Polarare Oberfläche (TPSA)
- 3,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 89,1
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -44 °C · -44°C
- Siedepunkt
- 234 °C · 234 °C (lit.)
- Dichte
- 0.778 g/mL · 0.778 g/mL at 25 °C (lit.)
- Dampfdruck
- 6.4 · 6.4-61Pa at 20-50℃
- Brechungsindex
- 20 · n20/D 1.431(lit.)
- Flammpunkt
- 197 °F · 197 °F
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Oil
- pka
- 9.79 · 9.79±0.28(Predicted)
- Farbe
- Clear Colorless
- BRN
- 1738198 · 1738198
- Henry's Law Constant
- 1.6 · 1.6×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- Stabilität
- Stable. Incompatible with strong oxidizing agents. Combustible.
- InChI
- 1S/C12H27N/c1-4-5-6-7-8-9-10-11-12-13(2)3/h4-12H2,1-3H3
- InChIKey
- YWWNNLPSZSEZNZ-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCN(C)C
- LogP
- 1.3 · 1.3-5.1 at 20℃ and pH7.1-8.8
- CAS Datenbank
- 1120 · 1120-24-7(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Decanamine, n,n-dimethyl-(1120-24-7)
- EPA chemische Informationen
- 1 · 1-Decanamine, N,N-dimethyl- (1120-24-7)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 8% (31 of 386) of reports.
Danger
H302 (91.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 386 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Decanamine, N,N-dimethyl-
1-Decanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Decanamine, N,N-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14493
1-Decanamine, N,N-dimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheitsdaten
- F
- 10-23
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 2735
- hs_code
- 2921199990
- risk_code
- 38
- hazard_code
- Xi
- safety_code
- 36
- hazard_class
- 8
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Acute Tox. 4 OralSkin Irrit. 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Wholesale and Retail Trade
1-Decanamine, N,N-dimethyl-: ACTIVE
Anwendungen
VerwendenN,N-Dimethyldecylamine is a useful synthetic intermediate. It can be used to prepare emodin (E523000) quaternary ammonium salt derivatives as potential anticancer agents It is also a reactant used to synthesize Benzyldecyldimethylammonium chloride (B234550), a biocide.
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