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グアニジン塩酸塩

Guanidine Hydrochloride

HCID 5742
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
50-01-1
標準SMILES
Cl.N=C(N)N
InChIKey
PJJJBBJSCAKJQF-UHFFFAOYSA-N
分子式
CH5N3.ClH
平均分子量
95.53 g/mol
単同位体質量
95.02502487

概要

Guanidine Hydrochloride is the hydrochloride salt form of guanidine, a strong basic compound with parasympathomimetic activity. Guanidine hydrochloride enhances the release of acetylcholine following a nerve impulse and potentiates acetylcholine actions on muscarinic and nicotinic receptors. It also appears to slow the rates of depolarization and repolarization of muscle cell membranes. (NCI05)

名称と識別子

優先名称
Guanidine Hydrochloride
IUPAC
guanidine;hydrochloride
現地名
グアニジン塩酸塩
英語名
Guanidine hydrochloride
分子式
CH5N3.ClH
分子量
95.53

名称と別名

Guanidine hydrochloride50-01-1Guanidinium chlorideguanidine HClAminoformamidine hydrochlorideGUANIDINE MONOHYDROCHLORIDECarbamidine hydrochlorideAminomethanamidine hydrochlorideIminourea hydrochloride3YQC9ZY4YBNSC-755884DTXSID7058757
名称をさらに表示
グアニジン塩酸塩塩酸グアニジングアニジン·塩酸グアニジン塩酸グアニジン·塩酸塩カルバミジン塩酸塩塩化グアニジニウムグアニジン 一酸グアニジンHCLグアニジン塩酸塩(塩酸グアニジン)塩化グアニジウムグアニジン 塩酸塩グアニジン 塩酸塩 溶液グアニジン塩酸塩 溶液GAClGdmClAMINOFORMAMIDINE HCLguanidiniumhydrochlorideGUANIDINE HYDROCHLORIDE 99%guanidine,monohydrochlorideGuanidine, hydrochloride (1:1)
Chloride, GuanidiniumGuanidium chlorideCHEBI:32735Chloride, GuanidiumHydrochloride, GuanidineRefChem:58639Monohydrochloride, GuanidineDTXCID4040763

データベース識別子

CAS
50-01-1
PubChem CID
5742
DTXSID
DTXSID7058757
ChEMBL
CHEMBL1200728
UNII
3YQC9ZY4YB
EC Number
200-002-3

物性

構造計算による物性補完中

極性表面積
75.9 Ų
水素結合供与体数
4
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
26.3

実験および物理化学的性質

CosmeticsBuffering
LogP-1.7
Density1.3 g/cm³
SolubilitySolubility in water, g/100ml at 20 °C: 215
Human Drugs · 2 件

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Melting Point · 2 件

178-185 °C

183 °C

Physical Description · 2 件

Large Crystals; Dry Powder; Liquid

HYGROSCOPIC CRYSTALLINE POWDER.

物理化学的性質

融点
180 · 180-185 °C(lit.)
比重(密度)
1.18 g/mL · 1.18 g/mL at 25 °C(lit.)
屈折率
20 · n20/D 1.465
貯蔵温度
room temp
溶解性
2 O: · H2O: 6 M、透明、無色
外見
クリスタル
酸解離定数(Pka)

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 · 6 件

Warning

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 9.2% (37 of 404) of reports.

Warning

H302 (90.8%): Harmful if swallowed [Warning Acute toxicity, oral]

危険有害性情報

Regulatory Information · 4 件

Chemical: Guanidine, monohydrochloride

Guanidine, hydrochloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Guanidine, hydrochloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13899

Guanidinium chloride: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsCombustible.
EC ClassificationSymbol: Xn; R: 22-36/38; S: (2)-22
Chemical DangersOn combustion, forms toxic and corrosive fumes including hydrogen chloride and nitrogen oxides. The solution in water is a weak acid.
Hazard Classes and Categories · 4 件

Acute Tox. 4 (90.8%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Acute Tox. 4 *

安全と保護具

化学と産業

用途と製造

U.S. Production2023: 100,000 - <250,000 lb
Consumer UsesLaboratory chemicals
Industry UsesLaboratory chemicals
Use ClassificationCosmetics -> Buffering
General Manufacturing Information · 2 件

Pharmaceutical and Medicine Manufacturing

Guanidine, hydrochloride (1:1): ACTIVE

応用分野 · 8 件

用途サルファ剤原料、帯電防

用途RNA抽出用。

用途合成繊維用帯電防止剤,葉酸合成原料,サルファ剤合成原料,たん白質可溶化剤

用途タンパク変性剤。

用途たん白質変性剤。

用途たん白変性剤、たん白質研究用。

使用Guanidine hydrochloride is used for purification of proteins and nucleic acids. It can be used as a medicine, organic synthesis intermediate and is used in dyes. It acts as an intermediate in the preparation of sulfadiazine, which is an important raw material for sulfamethyldiazine, sulfamethazine and folic acid. It is utilized in the synthesis of 2-amino-pyrimidine, 2- amino -6- methyl-pyrimidine and 2-amino -4,6 - dimethyl-pyrimidine. Also used in RNA isolation to dissociate nucleoproteins and inhibit RNase.

一般的な説明Guanidine hydrochloride (GdnHCl) is a well-known protein and enzyme denaturant. It is a small molecule and hydroscopic in nature. It is used to synthesis medicine, pesticide, dye and other organic compound, is the important material to make sulfanilamide medicine and folacin, and can be used as anti-static agent of compound fibre.

調製方法 · 2 件

製造方法The process for preparing guanidine hydrochloride is as follows:Step 1: Fritting - Combine dicyandiamide and ammonium chloride in a reactor with a 1:1.27 weight ratio and carry out a frit reaction at 170-230°C to obtain crude guanidine hydrochloride.Step 2: Dissolving - Dissolve the crude guanidine hydrochloride in water at a 1:1 ratio at normal temperature. Then, add ammonium salt alkaloid in an amount determined by the ammonium salt content in the crude guanidine hydrochloride.Step 3: Filtering - Remove raw materials and reaction by-products with filtration.Step 4: Dehydrating - Dehydrate the filtered ground mother liquor at a high temperature.Step 5: Crystallizing - Cool the supersaturated solution, concentrate, and crystallize to obtain high-purity guanidine hydrochloride.Step 6: Repeat steps 2-5 and add dicyandiamide in the reactor with the guanidine hydrochloride to carry out frit reaction at 170-230°C for 3-4 hours to obtain even higher purity guanidine hydrochloride. This step can be repeated several times if needed.Step 7: To obtain higher purity guanidine hydrochloride, subject the guanidine hydrochloride obtained in step 5 to steps 2-5 again, with the water ratio in step 2 adjusted to 1.5:1. This step can be repeated numerous times as required.

関連反応

510 件
反応記録を作成
HRID 3905 の反応式
HRID 3905反応物としてuspto-grants-1988_02
HRID 3906 の反応式
HRID 3906反応物としてuspto-grants-1988_02
HRID 4448 の反応式
HRID 4448反応物としてuspto-grants-1988_02
HRID 28565 の反応式
HRID 28565反応物としてuspto-grants-2008_09
HRID 34462 の反応式
HRID 34462反応物としてuspto-grants-1988_08
HRID 34467 の反応式
HRID 34467反応物としてuspto-grants-1988_08
HRID 38429 の反応式
HRID 38429反応物としてuspto-grants-2013_09
HRID 38430 の反応式
HRID 38430反応物としてuspto-grants-2013_09
1 / 64 ページ

化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
13.5 · 13.5(Temp: 27 °C; Solvent: Water)
色
白色~やや黄色
PH
4.5 · 4.5-5.5 (100g/l, H2O, 20℃)
臭い (Odor)
無臭
由来生物
synthetic (organic)
水溶解度
2280 g/L · 2280g/L(20℃)
Merck
14 · 14,4562
BRN
3591990 · 3591990
安定性
安定。吸湿性。強力な酸化剤とは相容れない。
化粧品成分の機能
バッファリング
InChI
1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H
InChIKey
PJJJBBJSCAKJQF-UHFFFAOYSA-N
SMILES
Cl[H].NC(N)=N
CAS データベース
50 · 50-01-1(CAS DataBase Reference)
EPAの化学物質情報
Guanidine monohydrochloride (50-01-1)
Absorption
0.1 at · ≤0.10 at 260nm in H2O at 6M
化学的性質 · 1 件

化学的特性Guanidine hydrochloride, a strong organic base, appears as white crystal powder or yellowish lumps that are almost insoluble in acetone, benzene, and ether. In physiological pH, it exists primarily as guanidium ions. It is a natural byproduct of protein metabolism found in urine and is commonly used in protein denaturation in laboratory research.

Fire Fighting
Use foam, powder.
First Aid Measures · 4 件

Fresh air, rest.

Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Give one or two glasses of water to drink. Induce vomiting (ONLY IN CONSCIOUS PERSONS!).

Safe StorageWell closed. Dry.
Spillage DisposalSweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water. Personal protection: P2 filter respirator for harmful particles.
Eye PreventionWear safety goggles or eye protection in combination with breathing protection.
Fire PreventionNO open flames.
Inhalation RiskEvaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly when dispersed.
Skin PreventionProtective gloves. Protective clothing.
Exposure PreventionPREVENT DISPERSION OF DUST!
Ingestion PreventionDo not eat, drink, or smoke during work.
Inhalation PreventionUse local exhaust or breathing protection.
Effects of Short Term ExposureThe substance is irritating to the eyes and skin.

毒性情報

Exposure RoutesThe substance can be absorbed into the body by ingestion.
Signs and Symptoms · 4 件

Cough.

Redness.

Redness. Pain.

Diarrhoea.

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Guanidine hydrochloride

Ambiguous-DILI-concern

3

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

RAIS Toxicity Values · 4 件

0.02

PPRTV Current

0.02

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6 件

Guanidine Chloride

2 x 10^-2 mg/kg-day

2 x 10^-2 mg/kg-day

PDF Document

Inadequate information to assess carcinogenic potential

2014

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 件

1.30e+03

1.60e+04

4.00e+02

7.00e+02

2.00e-02

Volatile

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 件

3.80e+03

4.90e+04

1.20e+03

7.00e+02

2.00e-02

Volatile

安全データ

F
3-10
wgk
1
tsca
TSCA listed
rtecs
MF4300000
毒性
LD50 orally in Rabbit: 655.3 - 907.1 mg/kg LD50 dermal Rabbit > 2000 mg/kg
hs_code
29252000
risk_code
22-36/38
hazard_code
Xn,Xi
safety_code
26-36-22
Hazard Classifications
Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
ストレージクラス
11 - Combustible Solids
危険度評価(NFPA 704基準/消防庁データ)
人的[青]=2

純化方法Crystallise the hydrochloride from hot methanol by chilling to about -10o, with vigorous stirring. The fine crystals are filtered through fritted glass, washed with cold (-10o) methanol, dried at 50o under vacuum for 5hours. (The product is purer than that obtained by crystallisation at room temperature from methanol by adding large amounts of diethyl ether.) [Kolthoff et al. J Am Chem Soc 79 5102 1957, Beilstein 3 H 86, 3 II 71, 3 III 160, 3 IV 150.]

上流・下流製品情報

上流原料

Double cyanamide塩化アンモニウム

下流製品

2-アミノ-5-ニトロピリミジン2,5-ジアミノ-4,6-ジクロロピリミジン炭酸 グアニジン5-Amino-2-fluoropyrimidineshark soft bone preparation2-アミノ-4-クロロ-6-メチルピリミジン2-アミノピリミジン-5-カルボン酸エチル2-Amino-6-hydroxypyrimidin-4(3H)-one ,97%2,4-ジアミノ-1,3,5-トリアジン2-クロロピリミジン-5-アミン2-アミノピリミジン-5-カルボアルデヒドアミロリド·塩酸塩2-アミノ-9-エチル-1,9-ジヒドロ-6H-プリン-6-オン2-アミノピリミジン7-(Trifluoromethyl)-3-iodoimidazo[1,2-a]pyrimidine2,5,6-トリアミノピリミジン-4-オールホルムアミジン塩酸塩3-ブロモ-7-(トリフルオロメチル)イミダゾ[1,2-A]ピリミジン2-amino-6-chloropyrimidin-4(3H)-one2-クロロ-5-ニトロピリミジン2-アミノ-4-ヒドロキシ-6-メチルピリミジングアニン硫酸塩二水和物グアニジニウムホスファート2-Amino-6-hydroxy-pyrimidine-4-carboxylic acid2,4-ジアミノピリミジン2-アミノピリミジン-5-カルボン酸2-アミノ-4,7(1H,8H)-プテリジンジオン
補足説明 · 2 件

定義本品は、グアニジンの塩酸塩であり、次の化学式で表される。

定義ChEBI: Guanidine Hydrochloride is an aminocarboxamidine, the parent compound of the guanidines. It is a strong organic base existing primarily as guanidium ions at physiological pH. It is found in the urine as a normal product of protein metabolism.