3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine

HCID 735132CAS 19541-96-9

기본 정보

표준 SMILES: Cc1cc(N)n(-c2ccccn2)n1
InChIKey: BDTNHFVPZQIZFD-UHFFFAOYSA-N
분자식: C9H10N4
평균 분자량: 174.2 g/mol
단동위원소 질량: 174.09054632

이름 및 식별자

우선 이름: 3-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
IUPAC: 5-methyl-2-pyridin-2-ylpyrazol-3-amine
영어명: 5-Methyl-2-pyridin-2-yl-2H-pyrazol-3-ylamine
분자식: C9H10N4
분자량: 174.2

이름 및 동의어

19541-96-93-methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amineDTXSID00352738RefChem:280628DTXCID20303803830-225-75-Methyl-2-pyridin-2-yl-2H-pyrazol-3-ylamineMFCD027084345-methyl-2-pyridin-2-ylpyrazol-3-amine3-methyl-1-pyridin-2-yl-1H-pyrazol-5-amineF3099-56713-methyl-1-(2-pyridyl)pyrazole-5-ylamine

이름 더 보기

5-methyl-2-(2-pyridyl)pyrazol-3-amine1H-Pyrazol-5-amine, 3-methyl-1-(2-pyridinyl)-3-methyl-1-pyridin-2-yl-1H-pyrazol-5-amine(SALTDATA: FREE)

3-methyl-1-(2-pyridinyl)-1H-Pyrazol-5-amine3-methyl-1-(2-pyridinyl)-1H-pyrazol-5-ylamineOprea1_868503MLS000762760SCHEMBL6343068CHEMBL1713687BDTNHFVPZQIZFD-UHFFFAOYSA-NHMS2797L03

데이터베이스 식별자

CAS: 19541-96-9
PubChem CID: 735132
DTXSID: DTXSID00352738
ChEMBL: CHEMBL1713687
EC Number: 830-225-7

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 56.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 173

실험 및 물리화학적 성질

Solubility20.4 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

끓는 점: 363.5 · 363.5±27.0 °C(Predicted)
밀도: 1.27 · 1.27±0.1 g/cm3(Predicted)
산도 계수 (pKa): 3.28 · 3.28±0.10(Predicted)

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.