2,4-Dimethyl-3-pyridinemethanol

HCID 10329351

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 194151-96-7
표준 SMILES: Cc1ccnc(C)c1CO
InChIKey: QFDOCIBRLAUHMD-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 2,4-Dimethyl-3-pyridinemethanol
IUPAC: (2,4-dimethyl-3-pyridinyl)methanol
영어명: 3-Pyridinemethanol,2,4-dimethyl-(9CI)
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

(2,4-dimethylpyridin-3-yl)methanol194151-96-72,4-Dimethyl-3-pyridinemethanolDTXSID501304163RefChem:443746DTXCID501734186962-785-4(2,4-dimethyl-pyridin-3-yl)-methanol(2,4-dimethyl-3-pyridyl)methanolMFCD169887253-Pyridinemethanol,2,4-dimethyl-(9CI)SCHEMBL305502

이름 더 보기

3-Pyridinemethanol, 2,4-dimethyl-(2,4-Dimethylpyridin-3-yl)methanol - [D88733]

SCHEMBL7735588SCHEMBL31150926QFDOCIBRLAUHMD-UHFFFAOYSA-N(24-Dimethylpyridin-3-yl)methanol2,4-dimethyl-3-hydroxymethylpyridine3-hydroxymethyl-2,4-dimethylpyridineAKOS015842582AS-63302

데이터베이스 식별자

CAS: 194151-96-7
PubChem CID: 10329351
DTXSID: DTXSID501304163
EC Number: 962-785-4

물성

구조 계산 물성

XLogP: 0.7
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: 105

물리화학적 성질

끓는 점: 267.6 · 267.6±35.0 °C(Predicted)
밀도: 1.063 · 1.063±0.06 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 13.74 · 13.74±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)

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