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Hexanediamide

HCID 12364
노트반응

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
628-94-4
표준 SMILES
NC(=O)CCCCC(N)=O
InChIKey
GVNWZKBFMFUVNX-UHFFFAOYSA-N
분자식
C6H12N2O2
평균 분자량
144.17 g/mol
단동위원소 질량
144.08987763

이름 및 식별자

우선 이름
Hexanediamide
IUPAC
hexanediamide
영어명
Adipamide
분자식
C6H12N2O2
분자량
144.17

이름 및 동의어

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

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

XLogP
-1.2
극성 표면적
86.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
2
회전 가능 결합 수
5
무거운 원자 수
10
형식 전하
0
복잡도
118

실험 및 물리화학적 성질

Color/FormPLATES
Solubility · 2건

Slightly soluble (NTP, 1992)

SLIGHTLY SOL IN WATER, ETHER; VERY SOL IN ALC

Melting Point · 2건

428 °F (NTP, 1992)

220 °C

Physical Description · 2건

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]

물리화학적 성질

녹는점
226 · 226-229 °C(lit.)
끓는 점
262.78 °C · 262.78°C (rough estimate)
밀도
1.1804 · 1.1804 (rough estimate)
굴절률
1.45 · 1.4500 (estimate)
저장 조건
30 °C · Store below +30°C.
용해도
50 mg/mL, · 포름산: 용해성50mg/mL, 투명, 무색 내지 희미한 노란색
산도 계수 (pKa)
16.26 · 16.26±0.40(Predicted)
물리적 상태
powder to crystal

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 2건

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).

화학 및 산업

약리 정보

Mechanism of Action · 2건

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.

용도 및 제조

UsesA diamide derivative of adipic acid; [Ullmann] Used for organic synthesis and as chemical intermediate; [NTP]
General Manufacturing InformationHexanediamide: ACTIVE
응용 분야 · 3건

개요Adipamide 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.

용도Adipamide has been used in the preparation of bisimidates.

일반 설명Colorless powder.

제조 방법 · 1건

관련 반응

4건
반응 기록 만들기
HRID 1682416 반응식
HRID 1682416반응물로uspto-grants-1997_06
HRID 1742120 반응식
HRID 1742120생성물로반응물로uspto-grants-1994_08
HRID 1779879 반응식
HRID 1779879반응물로uspto-grants-1997_05
HRID 2379241 반응식
HRID 2379241생성물로반응물로uspto-grants-1994_11

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
색상
흰색에서 거의 흰색
수용성
4.4 g/L · 4.4g/L(12.20ºC)
안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
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
EPA
Adipamide (628-94-4)

화학적 성질

Adipamide is white powder and chunks. It is slightly soluble in water and incompatible with strong oxidizing agents. On combustion and decomposition, adipamide produces toxic fumes of carbon monoxide, carbon dioxide, and nitrogen oxides.

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%)

안전 및 보호

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

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 · 1건

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) · 1건

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)

독성 정보

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

규제 정보

Regulatory Information · 2건

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.

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
AU7800000
HS 번호
29241900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
628-94-4(Hazardous Substances Data)

Adipamide 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.

상·하류 제품 정보

하류 제품

2-아미노-1-사이클로펜텐-1-카르보니트릴

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