2-에틸-4-메틸-2H-피라졸-3-일라민

1-Ethyl-4-methyl-1H-pyrazol-5-amine

HCID 22456658

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3702-13-4
표준 SMILES: CCn1ncc(C)c1N
InChIKey: XHWLCRAUUAFQTD-UHFFFAOYSA-N
분자식: C6H11N3
평균 분자량: 125.17 g/mol
단동위원소 질량: 125.09529736

이름 및 식별자

우선 이름: 1-Ethyl-4-methyl-1H-pyrazol-5-amine
IUPAC: 1-ethyl-4-methylpyrazol-5-amine
현지명: 2-에틸-4-메틸-2H-피라졸-3-일라민
영어명: 2-ETHYL-4-METHYL-2H-PYRAZOL-3-YLAMINE
분자식: C6H11N3
분자량: 125.17

이름 및 동의어

1-ETHYL-4-METHYL-1H-PYRAZOL-5-AMINE3702-13-4DTXSID80625730RefChem:230342DTXCID105764832-ethyl-4-methylpyrazol-3-amineMFCD080599432-Ethyl-4-methyl-pyrazol-3-amine1-ethyl-4-methylpyrazole-5-ylamine2-ethyl-4-methyl-2H-pyrazol-3-ylamineSCHEMBL691352XHWLCRAUUAFQTD-UHFFFAOYSA-N

이름 더 보기

2-에틸-4-메틸-2H-피라졸-3-일라민CHEMBRDG-BB 40143541-Ethyl-4-methyl-1H-pyrazol-5-ylamine1H-Pyrazol-5-amine, 1-ethyl-4-methyl-1-ethyl-4-methyl-1H-pyrazol-5-amine(SALTDATA: FREE)

DAA70213SBB073537STL414962AKOS005169468BS-37626SY081965DB-028927ST45255751

데이터베이스 식별자

CAS: 3702-13-4
PubChem CID: 22456658
DTXSID: DTXSID80625730
EC Number: 803-840-3

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 94.3

물리화학적 성질

끓는 점: 248.6 · 248.6±20.0 °C(Predicted)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
산도 계수 (pKa): 4.74 · 4.74±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C6H11N3/c1-3-9-6(7)5(2)4-8-9/h4H,3,7H2,1-2H3
InChIKey: XHWLCRAUUAFQTD-UHFFFAOYSA-N
SMILES: CCn1ncc(C)c1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 25
hazard_code: T
safety_code: 45
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects