5-아미노-1-에틸피라졸

1-Ethyl-1H-pyrazol-5-amine

HCID 337310CAS 3528-58-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCn1nccc1N
InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N
분자식: C5H9N3
평균 분자량: 111.15 g/mol
단동위원소 질량: 111.0796473

이름 및 식별자

우선 이름: 1-Ethyl-1H-pyrazol-5-amine
IUPAC: 2-ethylpyrazol-3-amine
현지명: 5-아미노-1-에틸피라졸
영어명: 5-Amino-1-ethylpyrazole
분자식: C5H9N3
분자량: 111.15

이름 및 동의어

1-Ethyl-1H-pyrazol-5-amineDTXSID40320092RefChem:432341DTXCID20271215609-110-93528-58-35-Amino-1-ethylpyrazole1-Ethyl-5-aminopyrazole2-ethylpyrazol-3-amine1H-Pyrazol-5-amine, 1-ethyl-MFCD00010849C5H9N3

이름 더 보기

5-아미노-1-에틸피라졸AKOS B024267ART-CHEM-BB B024267TIMTEC-BB SBB0055545-Amino-1-ethylpyrazol1-ethy-pyrazol-5-aMine2-ethyl-3-pyrazolamine2-Amino-1-ethylpyrazole

NSC 354694Pyrazole, 5-amino-1-ethyl-5-Amino-1-ethyl-1H-pyrazole2-Ethyl-2H-pyrazol-3-ylamine1-Ethyl-1H-pyrazol-5-amine #PB15601AS-198021-ethylpyrazole-5-ylamine

데이터베이스 식별자

CAS: 3528-58-3
PubChem CID: 337310
DTXSID: DTXSID40320092
EC Number: 609-110-9
Nikkaji: J456.557F

물성

구조 계산 물성

XLogP: 0.2
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

녹는점: 52 · 52-57 °C (lit.)
끓는 점: 92 · 92-94 °C/0.01 mmHg (lit.)
밀도: 1.0671 · 1.0671 (rough estimate)
굴절률: 1.534 · 1.5340 (estimate)
인화점: 230 °F · >230 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: solid
산도 계수 (pKa): 4.18 · 4.18±0.10(Predicted)
InChI: 1S/C5H9N3/c1-2-8-5(6)3-4-7-8/h3-4H,2,6H2,1H3
InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N
SMILES: CCn1nccc1N

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98.1%): 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 54 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.