1H-피라졸-1-카르복사미딘 하이드로클로라이드

Pyrazole-1-carboxamidine monohydrochloride

HCID 2734672

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4023-02-3
표준 SMILES: Cl.N=C(N)n1cccn1
InChIKey: RBZRMBCLZMEYEH-UHFFFAOYSA-N
분자식: C4H7ClN4
평균 분자량: 146.58 g/mol
단동위원소 질량: 146.0359239

이름 및 식별자

우선 이름: Pyrazole-1-carboxamidine monohydrochloride
IUPAC: pyrazole-1-carboximidamide;hydrochloride
현지명: 1H-피라졸-1-카르복사미딘 하이드로클로라이드
영어명: 1H-Pyrazole-1-carboxamidine hydrochloride
분자식: C4H7ClN4
분자량: 146.58

이름 및 동의어

1H-Pyrazole-1-carboxamidine hydrochloride1-Amidinopyrazole hydrochloridePyrazole-1-carboxamidine monohydrochlorideEC 429-520-1RefChem:870464429-520-1609-797-54023-02-31H-pyrazole-1-carboximidamide hydrochloridePyrazole-1-carboxamidine HydrochloridePyrazole-1-carboximidamide HydrochloridePraxadine hydrochloride

이름 더 보기

1H-피라졸-1-카르복사미딘하이드로클로라이드1H-피라졸-1-카르복스아미딘염산염1H-pyrazole-1-carboximidamidePraxadine1H-pyrazole-1-carboxamidinePYRAZOLE-1-CARBOXAMIDINEZanamivir EP Impurity FN-GUANYLPYRAZOLEAMIDINOPYRAZOLE HCL

1H-Pyrazole-1-carboxamidine HClMFCD00210087pyrazole-1-carboximidamide;hydrochloride1h-pyrazole-1-carboxamidine monohydrochlorideDTXSID00465171H-Pyrazole-1-carboximidamide, monohydrochloride1 -amidinopyrazole monohydrochlorideBP-12531

데이터베이스 식별자

CAS: 4023-02-3
PubChem CID: 2734672
DTXSID: DTXSID0046517
ChEMBL: CHEMBL542185
UNII: S9X3PXT9NC
EC Number: 429-520-1、609-797-5

물성

구조 계산 물성

극성 표면적: 67.7 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 100

물리화학적 성질

녹는점: 167 · 167-170 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 결정 또는 결정성 분말
색상: 흰색에서 밝은 노란색
수용성: 녹는
BRN: 5448758 · 5448758
InChI: InChI=1S/C4H6N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-3H,(H3,5,6);1H
InChIKey: RBZRMBCLZMEYEH-UHFFFAOYSA-N
SMILES: N1(C(N)=N)C=CC=N1.[H]Cl

화학적 성질

white to light yellow crystals or crystalline

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

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

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P319, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory InformationStatus: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4369

Hazard Classes and Categories · 4건

Acute Tox. 4 (100%)

Acute toxicity - category 4

Acute Tox. 4 *

안전 데이터

wgk: 3
HS 번호: 29339900
risk_code: 36/37/38-36/37-34
hazard_code: Xi,C
safety_code: 26-37/39-45-36/37/39
F 고인화성물질: 10-21
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Sens. 1STOT RE 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도1H-Pyrazole-1-carboxamidine hydrochloride is a stable and versatile reagent for the efficient and chemically specific guanylation of sterically unhindered primary and secondary aliphatic amines under mild conditions. 1H-Pyrazole-1-carboxamidine hydrochloride is a useful reagent in peptide synthesis

일반 설명1H-Pyrazole-1-carboxamidine hydrochloride, a pyrazole derivative, is a heterocyclic compound. It is widely used in drug syntheses studies. Pyrazole ring forms the main core of various nonsteroidal anti-inflammatory drugs (NSAIDs) and antihypertensive drugs.