2,6-Dimethyl-4-(hydroxymethyl)pyridine

HCID 3825077

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18088-01-2
표준 SMILES: Cc1cc(CO)cc(C)n1
InChIKey: DLDGHMPQNVTNRC-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 2,6-Dimethyl-4-(hydroxymethyl)pyridine
IUPAC: (2,6-dimethyl-4-pyridinyl)methanol
영어명: (2,6-DIMETHYLPYRIDIN-4-YL)METHANOL
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

2,6-Dimethyl-4-(hydroxymethyl)pyridineRefChem:445676640-723-4(2,6-dimethylpyridin-4-yl)methanol18088-01-24-Pyridinemethanol, 2,6-dimethyl-MFCD00956275(2,6-Dimethyl-pyridin-4-yl)-methanol4-(Hydroxymethyl)-2,6-dimethylpyridine4-Pyridinemethanol,2,6-dimethyl-2,6-Dimethylpyridine-4-methanol2,6-dimethyl-4

이름 더 보기

Abametapir Impurity 112,6-Dimethyl-4-pyridylmethanol2,6-diMethyl-4-PyridineMethanol(2,6-Dimethylpyridin-4-yl)methanol, 2,6-Dimethylisonicotinyl alcohol

SCHEMBL377724SCHEMBL5898333DTXSID50396925DLDGHMPQNVTNRC-UHFFFAOYSA-N(2,6-dimethyl-4-pyridyl)methanol(2,6-dimethyl-4-pyridinyl)methanolSBB0547884-Hydroxymethyl-2,6-dimethylpyridine

데이터베이스 식별자

CAS: 18088-01-2
PubChem CID: 3825077
DTXSID: DTXSID50396925
EC Number: 640-723-4

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 33.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 95.4

물리화학적 성질

녹는점: 98 °C · 98 °C(Solv: cyclohexane (110-82-7))
끓는 점: 242.7 · 242.7±35.0 °C(Predicted)
밀도: 1.063 · 1.063±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 가루
산도 계수 (pKa): 13.48 · 13.48±0.10(Predicted)
색상: 옅은 노랑

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)

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