基本情報
- CAS
685-91-6- 標準SMILES
CCN(CC)C(C)=O- InChIKey
AJFDBNQQDYLMJN-UHFFFAOYSA-N- 分子式
- C6H13NO
- 平均分子量
- 115.17 g/mol
- 単同位体質量
- 115.09971404
名称と識別子
- 優先名称
- N,N-Diethylacetamide
- IUPAC
- N,N-diethylacetamide
- 現地名
- N,N-ジエチルアセトアミド
- 英語名
- Diethylacetamide
- 分子式
- C6H13NO
- 分子量
- 115.17
名称と別名
名称をさらに表示
データベース識別子
- CAS
685-91-6- PubChem CID
- 12703
- DTXSID
DTXSID9020459- ChEMBL
CHEMBL3184758- UNII
- 6YO81D7ST6
- EC Number
- 211-685-2
- Nikkaji
- J33.415D
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 20.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 76
実験および物理化学的性質
Vapor Pressure
0.89 [mmHg]
2 MM HG @ 35 °C
物理化学的性質
- 融点
- 20 °C · <20 °C
- 沸点
- 182 · 182-186 °C (lit.)
- 比重(密度)
- 0.925 g/mL · 0.925 g/mL at 25 °C (lit.)
- 蒸気圧
- 1.2 hPa · 1.2 hPa (25 °C)
- 屈折率
- 20 · n20/D 1.440(lit.)
- 闪点
- 159 °F · 159 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 53.5 g/リットル · 53.5g/リットル
- 酸解離定数(Pka)
- -0.41 · -0.41±0.70(Predicted)
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- 水溶解度
- 水に溶ける。
- BRN
- 1209428 · 1209428
- Dielectric constant
- 31.33 · 31.329999999999998
- InChI
- 1S/C6H13NO/c1-4-7(5-2)6(3)8/h4-5H2,1-3H3
- InChIKey
- AJFDBNQQDYLMJN-UHFFFAOYSA-N
- SMILES
- CCN(CC)C(C)=O
- CAS データベース
- 685 · 685-91-6(CAS DataBase Reference)
- NISTの化学物質情報
- Acetamide, N,N-diethyl-(685-91-6)
- EPAの化学物質情報
- N,N-Diethylacetamide (685-91-6)
化学的性質
化学的特性clear colorless liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.
Warning
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (87%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (87%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (87%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.;Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.;There are 5 notifications provided by 45 of 46 reports by companies with hazard statement code(s).;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.
危険有害性情報
Regulatory Information
Chemical: Acetamide, N,N-diethyl-
N,N-Diethylacetamide: Does not have an individual approval but may be used under an appropriate group standard
TSCA Requirements
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. N,N-Diethylacetamide is included on this list.
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
毒性情報
Human Toxicity Excerpts
DIMETHYL ACETAMIDE HAS A RELATIVELY MODERATE HEPATOTOXIC ACTION IN OCCUPATIONALLY EXPOSED WORKERS. DUE TO SCANT KNOWLEDGE OF DIMETHYL ACETAMIDE TOXICITY, DATA RELATIVE TO SOME CMPDS WHICH PRESENT STRUCTURES & ACTION ANALOGUES TO DIMETHYL ACETAMIDE & WHOSE TOXICITY IS BETTER KNOWN ARE REPORTED AS AN APPENDIX.
Non-Human Toxicity Excerpts
THE CARCINOGENIC ACTIVITY OF DIETHYLACETAMIDE WAS STUDIED BECAUSE OF ITS ABILITY TO DENATURE PROTEINS & STRUCTURAL RESEMBLANCE TO NITROSAMINE DERIVATIVES. INGESTED, IT PRODUCED A TRANSITIONAL CELL CARCINOMA OF RAT KIDNEY & SEVERE RENAL DAMAGE. EVIDENCE DOES NOT SUPPORT THE VIEW THAT CYCLIC NITROSAMINES EXERT THEIR CARCINOGENIC ACTION VIA METAB TO DIAZOALKANES.
N,N-DIETHYLACETAMIDE 600 MG/KG GIVEN TO PREGNANT RATS ON THE 13TH OR 14TH DAYS OF GESTATION PRODUCED DIAPLACENTAL TERATOGENIC EFFECTS. THIS WAS 40% OF THE LD50 DOSE.
CMPDS INCLUDING N,N-DIETHYLACETAMIDE SHOWED NONSPECIFIC SPASMOLYTIC PROPERTIES AGAINST HISTAMINE-, CARBACHOL-, & BARIUM CHLORIDE-INDUCED SPASMS IN ISOLATED GUINEA PIG ILEUM, & AT LOW IV DOSES AFFECTED THE HEART RATE & BLOOD PRESSURE IN RATS, CATS, & DOGS.
IN MOUSE LIVER HOMOGENATES, N,N-DIETHYLACETAMIDE HAD NO EFFECT ON A SERIES OF LIVER MIXED-FUNCTION OXIDASE & CYTOCHROME C REDUCTASE ACTIVITIES, BUT IN VIVO (150 MG/KG, IP) IT INHIBITED THESE ACTIVITIES WITHIN 45 MIN & INCREASED HEXOBARBITAL SLEEPING TIME.
INJECTIONS OF N,N-DIETHYLACETAMIDE INDUCED SOME JUMPS OF CONVULSIONS IN MICE. IT INDUCED TESTICULAR ATROPHY IN RATS. RATS GIVEN 1/20 LD50 DOSES DAILY FOR 6 WK DID NOT EXHIBIT TOXIC EFFECTS BUT DID EXHIBIT DECREASED PONDERAL GROWTH.
Antidote and Emergency Treatment
Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist respirations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Activated charcoal is not effective ... . Do not attempt to neutralize because of exothermic reaction. Cover skin burns with dry, sterile dressings after decontamination ... . /Organic acids and related compounds/
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Early intubation, at the first sign of upper airway obstruction, may be necessary. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic acids and related compounds/
Non-Human Toxicity Values
LD50 Rat oral 1500 mg/kg
LD50 Rat iv 1 g/kg
LD50 Mouse ip 1690 mg/kg
LD50 Dog iv 1 g/kg
法規制情報
Regulatory Information
Chemical: Acetamide, N,N-diethyl-
N,N-Diethylacetamide: Does not have an individual approval but may be used under an appropriate group standard
TSCA Requirements
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. N,N-Diethylacetamide is included on this list.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- AB7000000
- 毒性
- LD50 orally in Rabbit: 1500 mg/kg
- hs_code
- 29241900
- risk_code
- 20/21/22-36/37/38
- 化審法
- (2)-3362
- 消防法
- 危-4-3-III
- hazard_code
- Xn
- safety_code
- 26-27-36/37/39-45
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 10 - Combustible liquids
- 有毒物質データの
- 685-91-6(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
General Manufacturing Information
Acetamide, N,N-diethyl-: ACTIVE
DIETHYLACETAMIDE- AN EXAMPLE OF DRUG ABUSE.
SOLVENTS WERE TESTED IN MICE FOR THEIR TOXICITY, CENTRAL NERVOUS SYSTEM PROFILE, AND ACTIVITY IN THE INCLINED SCREEN AND BALANCE ROD TESTS AFTER INTRAPERITONEAL ADMINISTRATION, PLUS THEIR INFLUENCE ON THE HEXABARBITONE SLEEPING TIME AND MUSCLE RELAXANT PROPERTIES ON THE ROTA-ROD AFTER ORAL ADMINISTRATION. N,N-DIETHYLACETAMIDE WAS RECOMMENDED NOT TO EXCEED A CONCENTRATION OF 0.3 IN DRUG SOLUTIONS AS SOLVENT FOR SCREENING PURPOSES.
応用分野
使用N,N-Diethylacetamide was used to investigate the spectroscopic properties ofN,N-diethyl-2-[(4-substituted)phenylsulfinyl] acetamides. It is commonly used as drug solvent.
一般的な説明N,N-Diethylacetamide is commonly used as drug solvent.
調製方法
純化方法Dissolve the amide in cyclohexane, shake with anhydrous BaO and then filter. The procedure is repeated three times, and the cyclohexane is distilled off at atmospheric pressure. The crude amide is also fractionally distilled three times from anhydrous BaO. [Beilstein 4 III 349.]
上流・下流製品情報
上流原料
サプライヤー100 社
関連反応
化合物ノート
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