alpha-Methyl-3-pyridinemethanol

HCID 101192CAS 10593-35-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(O)c1cccnc1
InChIKey: QMDUEBURHKSKDG-UHFFFAOYSA-N
분자식: C7H9NO
평균 분자량: 123.15 g/mol
단동위원소 질량: 123.06841391

개요

RN given refers to cpd without isomeric designation

이름 및 식별자

우선 이름: alpha-Methyl-3-pyridinemethanol
IUPAC: 1-pyridin-3-ylethanol
영어명: 3-(1-Hydroxyethyl)pyridine
분자식: C7H9NO
분자량: 123.15

이름 및 동의어

4754-27-21-(3-Pyridyl)ethanolalpha-Methyl-3-pyridinemethanolH6E9JKE977NSC-526489RefChem:915550225-280-33-(1-Hydroxyethyl)pyridine1-(Pyridin-3-yl)ethanol1-pyridin-3-ylethanol1-Pyridin-3-yl-ethanol1-(pyridin-3-yl)ethan-1-ol

이름 더 보기

3-METHYLPYRIDINECARBINOLa-Methyl-3-PyridineMethanolα-Methyl-3-pyridinemethanol1-Pyridin-3-YL-Ethanol,>98%3-PyridineMethanol, a-Methyl-

Methyl-3-pyridylcarbinolMFCD016916863-Pyridinemethanol, alpha-methyl-(1R)-1-(3-Pyridyl)ethanol(+/-)-1-(3-Pyridyl)ethanol10593-35-83-Pyridylmethylcarbinolalpha-Methylpyridine-3-methanol

데이터베이스 식별자

CAS: 10593-35-8、4754-27-2
PubChem CID: 101192
DTXSID: DTXSID20909829
UNII: H6E9JKE977
EC Number: 225-280-3
Nikkaji: J262.434F

물성

구조 계산 물성

XLogP: 1
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

물리화학적 성질

끓는 점: 123 · 123-125 °C(Press: 5 Torr)
밀도: 1.082 · 1.082±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 13.75 · 13.75±0.20(Predicted)
물리적 상태: 액체
색상: 연한 갈색
InChI: InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3
InChIKey: QMDUEBURHKSKDG-UHFFFAOYSA-N
SMILES: C1(C(O)C)=CN=CC=C1

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, P317, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933399990
hazard_code: Xi

화학 및 산업

응용 분야

용도The functional group of 3-(1-Hydroxyethyl)pyridine is a hydroxyl group. It is a crucial compound that could be used as a pharmaceutical intermediate in pharmaceutical synthesis and scientific research.