アセトアミジン塩酸塩
Acetamidine monohydrochloride
データを補完しています。しばらくしてからページを更新すると最新の内容を表示できます
基本情報
- CAS
124-42-5- 標準SMILES
CC(=N)N.Cl- InChIKey
WCQOBLXWLRDEQA-UHFFFAOYSA-N- 分子式
- C2H7ClN2
- 平均分子量
- 94.54 g/mol
- 単同位体質量
- 94.0297759
名称と識別子
- 優先名称
- Acetamidine monohydrochloride
- IUPAC
- ethanimidamide;hydrochloride
- 現地名
- アセトアミジン塩酸塩
- 英語名
- Acetamidine hydrochloride
- 分子式
- C2H7ClN2
- 分子量
- 94.54
名称と別名
Acetamidine monohydrochlorideRefChem:108862Acetamidine hydrochloride124-42-5Acetimidamide hydrochlorideethanimidamide hydrochlorideACETAMIDINE HClAcetamidinium chlorideEthanimidamide, monohydrochlorideEthanimidamide, hydrochloride (1:1)Ethanamidine hydrochlorideAcediamine hydrochloride
名称をさらに表示
アセトアミジン塩酸塩アセトアミジン·塩酸塩アセトアミジン·塩酸アセトアミジニウムクロライドアセトアミジン塩酸塩(塩酸アセトアミジン)エタンイミドアミド塩酸塩アセトアミジン 塩酸塩AcetamidineAcetoamidine hydrochlorideethanamidineAcetamine HClAcetamidine hydrochl
MFCD00013016methylamidine hydrochlorideC2H7ClN2Ethenylamidine hydrochlorideAcetamidine, monohydrochlorideAcetamidine, hydrochlorideSN 4455M2026K4JCF
データベース識別子
- CAS
124-42-5- PubChem CID
- 67170
- DTXSID
DTXSID2059564- UNII
- M2026K4JCF
- EC Number
- 204-700-9
物性
構造計算による物性補完中
- 極性表面積
- 49.9 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 1
- 回転可能結合数
- 0
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 31
物理化学的性質
- 融点
- 165 · 165-170 °C(lit.)
- 沸点
- 129.78 °C · 129.78°C (rough estimate)
- 比重(密度)
- 1.0596 · 1.0596 (rough estimate)
- 屈折率
- 1.55 · 1.5500 (estimate)
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 酸解離定数(Pka)
- 1 · pK1: 1.60(+1) (25°C)
- 外見
- 結晶性粉末、結晶および/またはチャンク
- 色
- ホワイト～クリーム
- 水溶解度
- 1 g/mL · 1g/mL
- Merck
- 14 · 14,44
- BRN
- 3591762 · 3591762
- InChI
- 1S/C2H6N2.ClH/c1-2(3)4;/h1H3,(H3,3,4);1H
- InChIKey
- WCQOBLXWLRDEQA-UHFFFAOYSA-N
- SMILES
- Cl[H].CC(N)=N
- CAS データベース
- 124 · 124-42-5(CAS DataBase Reference)
- EPAの化学物質情報
- Ethanimidamide, monohydrochloride (124-42-5)
化学的性質
化学的特性WHITE FINE CRYSTALLINE POWDER
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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 (92.2%): 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 51 reports by companies from 7 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.
危険有害性情報
Regulatory InformationAcetamidinium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (92.2%)
法規制情報
Regulatory InformationAcetamidinium chloride: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- F
- 3
- wgk
- 3
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing InformationEthanimidamide, hydrochloride (1:1): ACTIVE
応用分野
使用Acetamidine hydrochloride was used in the preparation of decarboxyectoine. It was also used in the synthesis of ethyl 4-(4-hydroxyphenyl)methylidene-2-methyl-5-oxo-1-imidazolacetate.
一般的な説明Acetamidine hydrochloride is an amidine salt and its conversion to 2,4,6-trimethyl-sym-triazine has been studied.
調製方法
純化方法The hydrochlorde can be recrystallised from small volumes of EtOH. Alternatively it is dissolved in EtOH, filtered, Et2O is added; filter the crystalline salt off under N2 and dry it in a vacuum desiccator over H2SO4. The salt is deliquescent and should be stored in a tightly stoppered container. Its solubility in H2O is 10% at room temperature and it is soluble in Me2CO. The free base reacts strongly alkaline in H2O. It has max 224nm ( 4000) in H2O. The picrate has m 252o (sintering at ~245o). [Dox Org Synth Coll Vol I 5 1941, Davies & Parsons Chem Ind (London) 628 1958, Barnes et al. J Am Chem Soc 62 1286 1940 give m 177-178o, Beilstein 2 H 185, 2 I 85, 2 II 183, 2 III 416, 2 IV 428.]
上流・下流製品情報
上流原料
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