Grundinformationen
- Standard-SMILES
CC(=O)NCCCCCCNC(C)=O- InChIKey
BNQSTAOJRULKNX-UHFFFAOYSA-N- Summenformel
- C10H20N2O2
- Durchschnittliche Molmasse
- 200,28 g/mol
- Monoisotopische Masse
- 200,15247788
Überblick
N-(6-acetamidohexyl)acetamide is a member of acetamides.
Namen und Bezeichner
- Bevorzugter Name
- Hexamethylene Bisacetamide
- IUPAC
- N-(6-acetamidohexyl)acetamide
- Englischer Name
- Hexamethylene bisacetamide
- Summenformel
- C10H20N2O2
- Molmasse
- 200.28
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
3073-59-4- PubChem CID
- 3616
- DTXSID
DTXSID2041044- ChEMBL
CHEMBL291481- ChEBI
CHEBI:125472- UNII
- LA133J59VU
- Nikkaji
- J227.810C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 58,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 161
Experimentelle und physikochemische Eigenschaften
Solubility
H2O > 50 (mg/mL)
pH 4 Acetate buffer > 50 (mg/mL)
pH 9 Carbonate buffer > 50 (mg/mL)
0.1 N NaOH > 50 (mg/mL)
0.1 N HCL > 50 (mg/mL)
10% Ethanol > 50 (mg/mL)
Stability/Shelf Life
Bulk: A sample stored at 60°C in the dark for 30 days retained 99 2% of its potency (GC). Solution: Samples were dissolved in water at a concentration of 20 mg/mL and stored in clear glass containers at room temperatures under normal laboratory light for 9 days. The sample retained 98 2% of its potency (GC).
Physikochemische Eigenschaften
- Schmelzpunkt
- 128 · 128-129 °C(lit.)
- Siedepunkt
- 338.01 °C · 338.01°C (rough estimate)
- Dichte
- 0.974 · 0.974
- Brechungsindex
- 1.471 · 1.4710 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 5 %, · water: soluble5%, clear, colorless
- Aggregatzustand
- A solid
- pka
- 16.2 · 16.20±0.46(Predicted)
- Farbe
- White to off-white
- Wasserlöslichkeit
- 5 %, · water: soluble 5%, clear, colorless
- BRN
- 1775764 · 1775764
- InChI
- InChI=1S/C10H20N2O2/c1-9(13)11-7-5-3-4-6-8-12-10(2)14/h3-8H2,1-2H3,(H,11,13)(H,12,14)
- InChIKey
- BNQSTAOJRULKNX-UHFFFAOYSA-N
- SMILES
- C(NC(=O)C)CCCCCNC(=O)C
- CAS Datenbank
- 3073 · 3073-59-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29241990
- RTECS-Nr.
- AC2976200
- risk_code
- 33
- Toxizität
- human,TDLo,intravenous,4270mg/kg/10D (4270mg/kg),GASTROINTESTINAL: NAUSEA OR VOMITINGBLOOD: THROMBOCYTOPENIA,Cancer Research. Vol. 47, Pg. 5788, 1987.
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents which improve the quality of the blood, increasing the hemoglobin level and the number of erythrocytes. They are used in the treatment of anemias.
Anwendungen
VerwendenN,N′-Hexamethylene bis(acetamide) was used as an inducing agent in obtaining mononuclear cells from the peripheral blood (PB) sample by Ficoll-Hypaque gradient separation.
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