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염산구아니딘

Guanidine Hydrochloride

HCID 5742
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
50-01-1
표준 SMILES
Cl.N=C(N)N
InChIKey
PJJJBBJSCAKJQF-UHFFFAOYSA-N
분자식
CH5N3.ClH
평균 분자량
95.53 g/mol
단동위원소 질량
95.02502487

개요

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)

이름 및 식별자

우선 이름
Guanidine Hydrochloride
IUPAC
guanidine;hydrochloride
현지명
염산구아니딘
영어명
Guanidine hydrochloride
분자식
CH5N3.ClH
분자량
95.53

이름 및 동의어

Guanidine hydrochloride50-01-1Guanidinium chlorideguanidine HClAminoformamidine hydrochlorideGUANIDINE MONOHYDROCHLORIDECarbamidine hydrochlorideAminomethanamidine hydrochlorideIminourea hydrochloride3YQC9ZY4YBNSC-755884DTXSID7058757
이름 더 보기
아미노메탄아미딘하이드로클로라이드염산구아니딘염산구아니딘구아니딘에이치씨엘구아니딘 하이드로클로라이드GAClGdmClAMINOFORMAMIDINE HCLguanidiniumhydrochlorideGUANIDINE HYDROCHLORIDE 99%guanidine,monohydrochlorideGuanidine, hydrochloride (1:1)
Chloride, GuanidiniumGuanidium chlorideCHEBI:32735Chloride, GuanidiumHydrochloride, GuanidineRefChem:58639Monohydrochloride, GuanidineDTXCID4040763

데이터베이스 식별자

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

물성

구조 계산 물성보충 중

극성 표면적
75.9 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
5
형식 전하
0
복잡도
26.3

실험 및 물리화학적 성질

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

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Melting Point · 2건

178-185 °C

183 °C

Physical Description · 2건

Large Crystals; Dry Powder; Liquid

HYGROSCOPIC CRYSTALLINE POWDER.

물리화학적 성질

녹는점
180 · 180-185 °C(lit.)
밀도
1.18 g/mL · 1.18 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.465
저장 조건
room temp
용해도
2 O: · H2O: 6 M, 투명, 무색
물리적 상태
크리스탈

안전 및 규제

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

GHS 분류

GHS Classification · 6건

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]

유해성 정보

Regulatory Information · 4건

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 · 4건

Acute Tox. 4 (90.8%)

Acute toxicity - category 4

Acute toxicity (Oral) - Category 4

Acute Tox. 4 *

안전 및 보호

화학 및 산업

용도 및 제조

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

Pharmaceutical and Medicine Manufacturing

Guanidine, hydrochloride (1:1): ACTIVE

응용 분야 · 4건

개요구아니딘(guanidine)은 구조식이 HN=C(NH2)2의 구조를 가진 유기 화합물이다. 강한 염기성을 가진 결정성의 고체로, 구아닌을 분해해 얻을 수있다. 또한 단백질의 대사에 의해 생성되고 소변 중에서도 검출된다.

용도플라스틱이나 폭약의 원료로 사용된다. 또한 수소결합 을 만들기 쉬운 성질때문에 염산이나 소금에 의해 단백질이 변성되는 것을 방지하는데 사용된다 (GdmCl로 알려져 있다). 화석연료의 대체연료로 이용하는 연구도 진행되고있다. 유도체는 유기합성을 통해 강한 염기로 사용된다.

용도Guanidine 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.

일반 설명Guanidine 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.

제조 방법 · 1건

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.

관련 반응

510건
반응 기록 만들기
HRID 3905 반응식
HRID 3905반응물로uspto-grants-1988_02
HRID 3906 반응식
HRID 3906반응물로uspto-grants-1988_02
HRID 4448 반응식
HRID 4448반응물로uspto-grants-1988_02
HRID 28565 반응식
HRID 28565반응물로uspto-grants-2008_09
HRID 34462 반응식
HRID 34462반응물로uspto-grants-1988_08
HRID 34467 반응식
HRID 34467반응물로uspto-grants-1988_08
HRID 38429 반응식
HRID 38429반응물로uspto-grants-2013_09
HRID 38430 반응식
HRID 38430반응물로uspto-grants-2013_09
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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
산도 계수 (pKa)
13.5 · 13.5(Temp: 27 °C; Solvent: Water)
색상
흰색에서 약간 노란색
수소이온지수(pH)
4.5 · 4.5-5.5 (100g/l, H2O, 20℃)
냄새
냄새 없는
생물학적 소스
synthetic (organic)
수용성
2280 g/L · 2280g/L(20℃)
Merck
14 · 14,4562
BRN
3591990 · 3591990
안정성
안정적인. 흡습성. 강한 산화제와 호환되지 않습니다.
화장품 원료 기능
버퍼링
InChI
1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H
InChIKey
PJJJBBJSCAKJQF-UHFFFAOYSA-N
SMILES
Cl[H].NC(N)=N
EPA
Guanidine monohydrochloride (50-01-1)
Absorption
0.1 at · ≤0.10 at 260nm in H2O at 6M
화학적 성질 · 1건

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 · 4건

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.

독성 정보

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

Cough.

Redness.

Redness. Pain.

Diarrhoea.

Drug Induced Liver Injury · 6건

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 · 4건

0.02

PPRTV Current

0.02

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6건

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 · 6건

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 · 6건

3.80e+03

4.90e+04

1.20e+03

7.00e+02

2.00e-02

Volatile

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
MF4300000
독성
LD50 orally in Rabbit: 655.3 - 907.1 mg/kg LD50 dermal Rabbit > 2000 mg/kg
HS 번호
29252000
risk_code
22-36/38
hazard_code
Xn,Xi
safety_code
26-36-22
기존화학 물질
KE-18111
F 고인화성물질
3-10
Hazard Classifications
Acute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스
11 - Combustible Solids

상·하류 제품 정보

상류 원료

Double cyanamide염화 암모늄

하류 제품

2-Amino-5-nitropyrimidine2,5-Diamino-4,6-dichloropyrimidine구아니딘 탄산염5-Amino-2-fluoropyrimidineshark soft bone preparation2-Amino-4-chloro-6-methylpyrimidine2-Amino-pyrimidine-5-carboxylic acid ethyl ester2-Amino-6-hydroxypyrimidin-4(3H)-one ,97%2,4-디아미노-1,3,5-트리아진5-Amino-2-chloropyrimidine2-Amino-5-pyrimidinecarboxyaldehyde히드로염화 아밀로리드9-Ethylguanine2-Aminopyrimidine7-(Trifluoromethyl)-3-iodoimidazo[1,2-a]pyrimidine6-Hydroxy-2,4,5-triaminopyrimidine포르마미딘 하이드로클로라이드3-Bromo-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine2-amino-6-chloropyrimidin-4(3H)-one2-Chloro-5-nitropyrimidine2-Amino-6-methyl-4-pyrimidinolGUANINE SULFATE구아니딘포스페이트2-Amino-6-hydroxy-pyrimidine-4-carboxylic acid2,4-디아미노피리미딘2-Aminopyrimidine-5-carboxylic acidISOXANTHOPTERIN
추가 설명 · 1건

정의ChEBI: 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.