Hexansäureamid

Hexamide · Hexoamide · NCI-C02142 · Hexylamide · HEXANAMIDE · CAPROAMIDE · Capronamide · HEXANOAMIDE

https://huagongshe.com/de/chemical/12332

Identifikatoren & physikalische Daten

CAS No.	628-02-4
Summenformel	C6H13NO
Durchschnittliche Molmasse	115,17 g/mol
Monoisotopische Masse	115,09971404 g/mol
SMILES	CCCCCC(N)=O
InChIKey	ALBYIUDWACNRRB-UHFFFAOYSA-N
PubChem CID	12332
ChEMBL	CHEMBL1523958
ChEBI	CHEBI:142683
EC No.	211-024-8
DTXSID	DTXSID6020696
Lokaler Name	Hexansäureamid

Chemische & physikalische Eigenschaften

XLogP	1,3
Polarare Oberfläche (TPSA)	43,1
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	4
Schwere Atome	8
Formalladung	0
Komplexität	70,9
Stoffklassen	Nitrogen Compounds -> Other Nitrogen CompoundsIndustrial compound -> amide
SpringerMaterials Properties	Boiling point
Dichte	0.999 at 68 °F (NTP, 1992) - Less dense than waterwill float0.999 @ 20 °C/4 °C0.9990
Color/Form	CRYSTALS FROM ACETONE
Löslichkeit	0.1 to 1 mg/mL at 59 °F (NTP, 1992)Soluble in alcohol, ether, benzene, chloroformSLIGHTLY SOL IN WATER29.72g/L(25 ºC)
Siedepunkt	491 °F at 760 mmHg (NTP, 1992)255 °C @ 760 mm Hg215.49°C (rough estimate)
Decomposition	When heated to decomposition it emits toxic fumes such as /nitrogen oxides/.
Schmelzpunkt	214 °F (NTP, 1992)101 °C100-102 °C(lit.)
Dampfdruck	0.00374 [mmHg]
Brechungsindex	Index of refraction: 1.4200 @ 110 °C/D1.4200 (estimate)
Physical Description	Hexanamide appears as colorless crystals. (NTP, 1992)Colorless solid[CAMEO] White crystalline powder[Alfa Aesar MSDS]
Lagerbedingungen	Store at room temperature
Aggregatzustand	Flakes
pKa (Säurekonstante)	16.76±0.40(Predicted)
Farbe	White to off-white
Henry-Konstante	1.8×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Stabilität	Stable. Combustible. Incompatible with acids, bases, strong oxidizing agents.
InChI	1S/C6H13NO/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H2,7,8)
InChIKey	ALBYIUDWACNRRB-UHFFFAOYSA-N
SMILES	CCCCCC(N)=O
CAS Datenbank	628-02-4(CAS DataBase Reference)
EPA chemische Informationen	Hexanamide (628-02-4)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.WarningH315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Brandgefahren	Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Gefahrenübersicht	A skin and strong eye irritant[Alfa Aesar MSDS]
Reaktive Gruppe	Amides and Imides
Reactivity Profile	HEXANAMIDE is an amide. Amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx). Can react with mineral acids and bases. (NTP, 1992)
Air and Water Reactions	Slightly soluble in water.
Toxic Combustion Products	When heated to decomposition it emits toxic fumes such as /nitrogen oxides/.
Hazard Classes and Categories	Skin Irrit. 2 (97.8%)
Brandbekämpfung	Fires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
Erste Hilfe	EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.