1,5-디메틸-1H-피라졸-4-아민

1,5-dimethyl-1H-pyrazol-4-amine

HCID 573813CAS 121983-36-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1c(N)cnn1C
InChIKey: JKSYHPUINDBWRF-UHFFFAOYSA-N
분자식: C5H9N3
평균 분자량: 111.15 g/mol
단동위원소 질량: 111.07964729

이름 및 식별자

우선 이름: 1,5-dimethyl-1H-pyrazol-4-amine
IUPAC: 1,5-dimethylpyrazol-4-amine
현지명: 1,5-디메틸-1H-피라졸-4-아민
영어명: 1,5-Dimethyl-1H-pyrazole-4-amine
분자식: C5H9N3
분자량: 111.15

이름 및 동의어

1,5-dimethyl-1H-pyrazol-4-amine121983-36-6DTXSID60341542RefChem:417259DTXCID80292623819-325-11,5-dimethylpyrazol-4-amine1H-Pyrazol-4-amine, 1,5-dimethyl-4-Amino-1,5-dimethylpyrazoleMFCD022537741,5-Dimethyl-1H-pyrazol-4-ylamine1H-pyrazol-4-amine, 1,5-dimethyl-, dihydrochloride

이름 더 보기

1,5-디메틸-1H-피라졸-4-아민1,5-dimethyl-1H-pyridineazole-4-amine1,5-Dimethylpyrazol-4-amine - [D94614]1,5-diMethyl-1H-pyrazol-4-aMine dihydrochloride1,5-dimethyl-1H-pyrazol-4-amine(SALTDATA: 2HCl)

1,5-dimethylpyrazole-4-ylaminePyrazol-4-amine, 1,5-dimethyl-1,5-Dimethyl-1H-pyrazole-4-amine4-Amino-1,5-dimethyl-1H-pyrazoleSCHEMBL691349SCHEMBL6970794ALBB-009934SBB020193

데이터베이스 식별자

CAS: 121983-36-6
PubChem CID: 573813
DTXSID: DTXSID60341542
EC Number: 819-325-1

물성

구조 계산 물성

XLogP: 0
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 83.7

물리화학적 성질

끓는 점: 231.5 · 231.5±20.0 °C(Predicted)
밀도: 1.17 · 1.17±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 4.28 · 4.28±0.10(Predicted)
InChI: InChI=1S/C5H9N3/c1-4-5(6)3-7-8(4)2/h3H,6H2,1-2H3
InChIKey: JKSYHPUINDBWRF-UHFFFAOYSA-N
SMILES: N1(C)C(C)=C(N)C=N1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.