(1,5-DIMETHYL-1H-PYRAZOL-3-YL)메탄올

(1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol

HCID 2776366CAS 153912-60-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(CO)nn1C
InChIKey: XJBMHIHXRARJJS-UHFFFAOYSA-N
분자식: C6H10N2O
평균 분자량: 126.16 g/mol
단동위원소 질량: 126.07931294

이름 및 식별자

우선 이름: (1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol
IUPAC: (1,5-dimethylpyrazol-3-yl)methanol
현지명: (1,5-DIMETHYL-1H-PYRAZOL-3-YL)메탄올
영어명: (1,5-Dimethyl-1H-pyrazol-3-yl)methanol
분자식: C6H10N2O
분자량: 126.16

이름 및 동의어

153912-60-8(1,5-Dimethyl-1H-Pyrazol-3-Yl)MethanolDTXSID90380020RefChem:204378DTXCID80331046835-224-51,5-Dimethyl-1H-pyrazol-3-yl-methanol(1,5-dimethylpyrazol-3-yl)methanolMFCD036597021,5-Dimethyl-1H-pyrazole-3-methanol3-HYDROXYMETHYL-1,5-DIMETHYL-1H-PYRAZOLESCHEMBL243540

이름 더 보기

(1,5-DIMETHYL-1H-PYRAZOL-3-YL)메탄올AKOS PAO-00601H-Pyrazole-3-methanol, 1,5-dimethyl-1,5-DIMETHYL-3-(HYDROXYMETHYL)PYRAZOLE1H-Pyrazole-3-methanol,1,5-dimethyl-(9CI)1,5-Dimethyl-3-(hydroxymethyl)-1H-pyrazole3-(Hydroxymethyl)-1,5-dimethyl-1H-pyrazole(1,5-Dimethyl-1H-pyrazol-3-yl)methanol ,97%

CHEMBL45872191,5-dimethylpyrazole-3-methanol1,5-dimethylpSCHEMBL243539orb3030342XJBMHIHXRARJJS-UHFFFAOYSA-N1,5 -dimethylpyrazole-3-methanolHMS5107O17

데이터베이스 식별자

CAS: 153912-60-8
PubChem CID: 2776366
DTXSID: DTXSID90380020
ChEMBL: CHEMBL4587219
EC Number: 835-224-5
Nikkaji: J1.343.968K

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

물리화학적 성질

녹는점: 50 °C · 50 °C
끓는 점: 118 °C · 118°C 2mm
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): 13.63 · 13.63±0.10(Predicted)

화학적 성질

White crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.