结构:NC(=O)CCCCC(N)=O
HCID12364

Hexanediamide

C6H12N2O2144.17 g/molCAS 628-94-4

IDENTITY

结构与身份

标准 SMILES
NC(=O)CCCCC(N)=O
InChIKey
GVNWZKBFMFUVNX-UHFFFAOYSA-N
分子式
C6H12N2O2
平均分子量
144.17 g/mol
单同位素质量
144.08987763

COMPUTED

结构计算性质

已同步
XLogP
-1.2
极性表面积
86.2 Ų
氢键供体
2
氢键受体
2
可旋转键
5
重原子
10
形式电荷
0
复杂度
118

PROPERTIES

实验与物化性质

来源:PubChem
Color/Form

PLATES

Solubility

Slightly soluble (NTP, 1992)

SLIGHTLY SOL IN WATER, ETHER; VERY SOL IN ALC

Melting Point

428 °F (NTP, 1992)

220 °C

Physical Description

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]

GHS

GHS 分类

来源:PubChem
GHS Classification

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.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

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 Hazards

The flash point of this chemical has not been determined, but it is probably combustible. (NTP, 1992)

Hazards Summary

No evidence of carcinogenicity in rats or mice (oral administration); [HSDB] An eye irritant; [Alfa Aesar MSDS]

Reactive Group

Amides and Imides

Reactivity Profile

ADIPAMIDE 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 Reactions

Slightly soluble in water (NTP, 1992).

Hazard Classes and Categories

Skin Irrit. 2 (100%);Eye Irrit. 2 (100%);STOT SE 3 (97.7%)

SAFETY

安全与防护

来源:PubChem
Fire Fighting

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid

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

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)

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)

TOXICITY

毒理信息

来源:PubChem
Non-Human Toxicity Excerpts

ADIPAMIDE WAS CONSIDERED NONCARCINOGENIC IN RATS & MICE TREATED ORALLY.

REGULATORY

法规信息

来源:PubChem
Regulatory Information

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.

PHARMACOLOGY

药理信息

来源:PubChem
Mechanism of Action

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.

USES

用途与制造

来源:PubChem
Uses

A diamide derivative of adipic acid; [Ullmann] Used for organic synthesis and as chemical intermediate; [NTP]

General Manufacturing Information

Hexanediamide: ACTIVE

ALIASES

名称与别名

57
Adipamide628-94-4HEXANEDIAMIDEAdipic diamideAdipic acid amideAdipic acid diamide1,4-ButanedicarboxamideNCI-C02095DTXSID402003240DRU033OWNSC-7623DTXCID7032RefChem:553047211-062-5MFCD00008045butane-1,4-dicarboxamide1,6-hexanediamideCCRIS 5883HSDB 5510NSC 7623

REACTIONS

参与反应

4