1-에틸-1H-피라졸-4-아민

1-Ethyl-1h-pyrazol-4-amine

HCID 7018640

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 876343-24-7
표준 SMILES: CCn1cc(N)cn1
InChIKey: HENLKZLWIDJRSC-UHFFFAOYSA-N
분자식: C5H9N3
평균 분자량: 111.15 g/mol
단동위원소 질량: 111.0796473

이름 및 식별자

우선 이름: 1-Ethyl-1h-pyrazol-4-amine
IUPAC: 1-ethylpyrazol-4-amine
현지명: 1-에틸-1H-피라졸-4-아민
영어명: 1-ethyl-1H-pyrazol-4-amine
분자식: C5H9N3
분자량: 111.15

이름 및 동의어

1-ethyl-1H-pyrazol-4-amine876343-24-7DTXSID10427002RefChem:230210DTXCID10377836814-391-81-ethyl-1h-pyrazol-4-ylamine4-AMINO-1-ETHYLPYRAZOLE1-ethylpyrazol-4-amine1H-Pyrazol-4-amine, 1-ethyl-MFCD058616671-ethylpyrazole-4-ylamine

이름 더 보기

1-에틸-1H-피라졸-4-아민4-Amino-1-ethyl-1H-pyrazole1-ethyl-1H-pyrazol-4-amine hydrochloride1-ethyl-1H-pyrazol-4-amine(SALTDATA: HCl)

1-ethyl-4-amino-1H-pyrazole1ethyl1hpyrazol4amine hydrocloridePB34103BP-211781-Ethyl-1H-pyrazol-4-amine;1-ethyl-1H-pyrazol-4-amineethyl-1H-pyrazol-4-amine1-ETHYL-1H-PYRAZOL-4-AMINE HYDROCLORIDEA848281

데이터베이스 식별자

CAS: 876343-24-7
PubChem CID: 7018640
DTXSID: DTXSID10427002
ChEMBL: CHEMBL4527358
EC Number: 814-391-8

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 74

물리화학적 성질

끓는 점: 238.6 · 238.6±13.0 °C(Predicted)
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 3.72 · 3.72±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (66.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (66.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 3 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (66.7%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (66.7%)；STOT SE 3 (100%)

안전 데이터

HS 번호: 2933199090
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도1-ethyl-1H-pyrazol-4-amine can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.