2,3,5-Trimethyl-1-oxidopyridin-1-ium

HCID 10486907

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 74409-42-0
표준 SMILES: Cc1cc(C)c(C)[n+]([O-])c1
InChIKey: YSBDSWBSEXCSSE-UHFFFAOYSA-N
분자식: C8H11NO
평균 분자량: 137.18 g/mol
단동위원소 질량: 137.08406397

이름 및 식별자

우선 이름: 2,3,5-Trimethyl-1-oxidopyridin-1-ium
IUPAC: 2,3,5-trimethyl-1-oxidopyridin-1-ium
영어명: 2,3,5-Trimethylpyridine-1-Oxide
분자식: C8H11NO
분자량: 137.18

이름 및 동의어

2,3,5-trimethyl-1-oxidopyridin-1-iumPyridine, 2,3,5-trimethyl-, 1-oxideRefChem:441838955-464-574409-42-02,3,5-trimethylpyridine 1-oxide2,3,5-Trimethylpyridine N-Oxide2,3,5-trimethylpyridin-1-ium-1-olate2,3,5-trimethyl-pyridine 1-oxideMFCD001268412,3,5-trimethylpyridine1-oxide2,3,5-TRIMETHYLPYRIDINE-1-OXIDE

이름 더 보기

2,3,5-Collidine N-OxideEsomeprazole Sodium Impurity 352,3,5 -TRIMETHYLPYRIDINE N-OXIDE2,3,5-trimethyl-Pyridine 1-oxide (9CI ACI)Pyridine, 2,3,5-trimethyl-, 1-oxide (9CI, ACI)

Omeprazole Related Compound 4Pyridine, 2,3,5-trimethyl-, 1-oxide; 2,3,5-trimethyl-1-oxido-pyridin-1-ium; 2,3,5-Trimethylpyridine N-OxidePyridine,2,3,5-trimethyl-, 1-oxideEsomeprazole Impurity 1082,3,5-collidine-N-oxideSCHEMBL286168SCHEMBL29385092DTXSID40440623

데이터베이스 식별자

CAS: 74409-42-0
PubChem CID: 10486907
DTXSID: DTXSID40440623
EC Number: 616-091-0、955-464-5
Nikkaji: J261.941E

물성

구조 계산 물성

XLogP: 1
극성 표면적: 25.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 40 · 40-41 °C
끓는 점: 95 · 95-98 °C(Press: 0.00998 Torr)
밀도: 0.99 · 0.99±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 1.62 · 1.62±0.10(Predicted)
색상: 황백색부터 연한 갈색까지
안정성: 흡습성

화학적 성질

Light Brown Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]