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Adipamid

Hexanediamide

HCID 12364
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Grundinformationen

CAS
628-94-4
Standard-SMILES
NC(=O)CCCCC(N)=O
InChIKey
GVNWZKBFMFUVNX-UHFFFAOYSA-N
Summenformel
C6H12N2O2
Durchschnittliche Molmasse
144,17 g/mol
Monoisotopische Masse
144,08987763

Namen und Bezeichner

Bevorzugter Name
Hexanediamide
IUPAC
hexanediamide
Lokaler Name
Adipamid
Englischer Name
Adipamide
Summenformel
C6H12N2O2
Molmasse
144.17

Namen und Synonyme

Adipamide628-94-4HEXANEDIAMIDEAdipic diamideAdipic acid amideAdipic acid diamide1,4-ButanedicarboxamideNCI-C02095DTXSID402003240DRU033OWNSC-7623DTXCID7032
Weitere Namen anzeigen
NCI c-02095Adipamide98%Adipic amideAdipamide 99%Adipamide >ADIPIC DIAMIDEadipicacidamide
RefChem:553047211-062-5MFCD00008045butane-1,4-dicarboxamide1,6-hexanediamideCCRIS 5883HSDB 5510NSC 7623

Datenbank-Bezeichner

CAS
628-94-4
PubChem CID
12364
DTXSID
DTXSID4020032
ChEMBL
CHEMBL1416640
ChEBI
CHEBI:165524
UNII
40DRU033OW
EC Number
211-062-5
Nikkaji
J6.884E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-1,2
Polarare Oberfläche (TPSA)
86,2 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
10
Formalladung
0
Komplexität
118

Experimentelle und physikochemische Eigenschaften

Color/FormPLATES
Solubility · 2 Einträge

Slightly soluble (NTP, 1992)

SLIGHTLY SOL IN WATER, ETHER; VERY SOL IN ALC

Melting Point · 2 Einträge

428 °F (NTP, 1992)

220 °C

Physical Description · 2 Einträge

Adipamide is a colorless powder. (NTP, 1992)

Colorless solid; [CAMEO] mp = 228 deg C and practically insoluble in cold water; [Ullmann] White solid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
226 · 226-229 °C(lit.)
Siedepunkt
262.78 °C · 262.78°C (rough estimate)
Dichte
1.1804 · 1.1804 (rough estimate)
Brechungsindex
1.45 · 1.4500 (estimate)
storage temp.
30 °C · Store below +30°C.
Löslichkeit
50 mg/mL, · formic acid: soluble50mg/mL, clear, colorless to faintly yellow
pka
16.26 · 16.26±0.40(Predicted)
Aggregatzustand
powder to crystal
Farbe
White to Almost white
Wasserlöslichkeit
4.4 g/L · 4.4g/L(12.20 ºC)
Stabilität
Stable. Combustible. Incompatible with strong oxidizing agents.
InChI
InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChIKey
GVNWZKBFMFUVNX-UHFFFAOYSA-N
SMILES
C(N)(=O)CCCCC(N)=O
CAS Datenbank
628 · 628-94-4(CAS DataBase Reference)
EPA chemische Informationen
Adipamide (628-94-4)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 43 reports by companies from 3 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

Regulatory Information · 2 Einträge

Chemical: Hexanediamide

Hexanediamide: 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.

Fire HazardsThe flash point of this chemical has not been determined, but it is probably combustible. (NTP, 1992)
Hazards SummaryNo evidence of carcinogenicity in rats or mice (oral administration); [HSDB] An eye irritant; [Alfa Aesar MSDS]
Reactive GroupAmides and Imides
Reactivity ProfileADIPAMIDE forms flammable gases with strong reducing agents. A very weak base. Mixing with dehydrating agents such as P2O5 or SOCl2 generates adiponitrile. Combustion generates toxic mixed oxides of nitrogen (NOx).
Air and Water ReactionsSlightly soluble in water (NTP, 1992).
Hazard Classes and CategoriesSkin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.7%)

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. You should then dampen the solid spill material with methanol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with methanol to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash contaminated surfaces with methanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Toxikologische Informationen

Non-Human Toxicity ExcerptsADIPAMIDE WAS CONSIDERED NONCARCINOGENIC IN RATS & MICE TREATED ORALLY.

Regulatorische Informationen

Regulatory Information · 2 Einträge

Chemical: Hexanediamide

Hexanediamide: 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

wgk
2
tsca
TSCA listed
hs_code
29241900
RTECS-Nr.
AU7800000
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Speicherklasse
11 - Combustible Solids
Giftige Stoffe Daten
628-94-4(Hazardous Substances Data)

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 2 Einträge

POLYMETHYLENE CHAINS TERMINALLY SUBSTITUTED WITH VARIOUS COMBINATIONS OF CARBOXYLATE, AMINO, AMIDE, OR SULFOXIDE GROUPS WERE TESTED FOR INDUCING ERYTHROID DIFFERENTIATION IN MURINE ERYTHROLEUKEMIA CELLS. ALL POTENT INDUCING AGENTS POSSESSED BOTH A HYDROPHILIC & HYDROPHOBIC PORTION OF THE MOLECULE, AS WELL AS A PLANER PORTION. THE POLYMETHYLENE CHAIN JOINING FUNCTIONAL GROUPS MUST BE FLEXIBLE & MUST BE 5-6 CARBON ATOMS IN LENGTH TO ACHIEVE MAXIMAL ACTIVITY.

VARIOUS N-SUBSTITUTED POLYMETHYLENE DIAMIDES WERE TESTED FOR THEIR POTENCY TO INDUCE ERYTHROID DIFFERENTIATION IN MURINE ERYTHROLEUKEMIA CELLS. POLYMETHYLENE DIAMIDES HAD NO EFFECT ON THE INDUCTION OF HEMOGLOBIN SYNTHESIS. THE N-ALKYLATED AMIDE GROUP APPEARS TO BE REQUIRED FOR INDUCTION OF DIFFERENTIATION IN MURINE ERYTHROLEUKEMIA CELLS.

Verwendung und Herstellung

UsesA diamide derivative of adipic acid; [Ullmann] Used for organic synthesis and as chemical intermediate; [NTP]
General Manufacturing InformationHexanediamide: ACTIVE
Anwendungen · 2 Einträge

BeschreibungAdipamide is a chunky white powder. It is slightly soluble in water and incompatible with strong oxidising agents. Adipamide on combustion and decomposition produces hazardous products of toxic fumes of carbon monoxide, carbon dioxide, and nitrogen oxides. Exposures to adipamide by inhalation, ingestion, or skin absorption cause adverse health. The symptoms include irritation of the eyes, skin, mucous membranes, and upper respiratory tract. There is no complete information about the toxicological properties of the chemical.

VerwendenAdipamide has been used in the preparation of bisimidates.

Darstellung · 1 Eintrag

synthetischeAdipamide has been traditionally prepared from the dimethyl ester by treatment with concentrated ammonium hydroxide or by heating the diammonium salt of adipic acid in a stream of ammonia. Other substituted amides can be prepared from amines by the usual synthetic methods.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

2-Amino-1-cyclopentene-1-carbonitrile

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HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
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