(1-METHYL-1H-BENZOIMIDAZOL-2-YL)-메탄올

(1-methyl-1H-1,3-benzodiazol-2-yl)methanol

HCID 344177

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 7467-35-8
표준 SMILES: Cn1c(CO)nc2ccccc21
InChIKey: SQRSIOZFPSFABI-UHFFFAOYSA-N
분자식: C9H10N2O
평균 분자량: 162.19 g/mol
단동위원소 질량: 162.07931294

이름 및 식별자

우선 이름: (1-methyl-1H-1,3-benzodiazol-2-yl)methanol
IUPAC: (1-methylbenzimidazol-2-yl)methanol
현지명: (1-METHYL-1H-BENZOIMIDAZOL-2-YL)-메탄올
영어명: (1-METHYL-1H-BENZOIMIDAZOL-2-YL)-METHANOL
분자식: C9H10N2O
분자량: 162.19

이름 및 동의어

(1-methyl-1H-1,3-benzodiazol-2-yl)methanolRefChem:392301865-320-27467-35-8(1-methyl-1H-benzimidazol-2-yl)methanol(1-Methyl-1H-benzoimidazol-2-yl)-methanol(1-methyl-1H-benzo[d]imidazol-2-yl)methanol(1-methylbenzimidazol-2-yl)methanolMFCD004640511H-Benzimidazole-2-methanol, 1-methyl-(1-Methyl-2-benzimidazolyl)methanolF0853-0190

이름 더 보기

(1-METHYL-1H-BENZOIMIDAZOL-2-YL)-메탄올1H-Benzimidazole-2-methanol,1-methyl-(9CI)(1-Methyl-1H-benzoimidazol-2-yl)-methanol - [M88478](1-methyl-1H-benzimidazol-2-yl)methanol(SALTDATA: FREE)

(1-methyl-1H-1,3-benzimidazol-2-yl)methanol1-Methyl-2-hydroxymethylbenzimidazole; 2-Hydroxymethyl-1-methyl-1H-benzimidazole; NSC 400948(1-methylbenzimidazol-2-yl)methan-1-olT1UNSC400948BAS 00731224ChemDiv3_011430SCHEMBL104281

데이터베이스 식별자

CAS: 7467-35-8
PubChem CID: 344177
DTXSID: DTXSID90322304
EC Number: 865-320-2
Nikkaji: J3.716.710J

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

저장 조건: Sealed in dry,Room Temperature

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)

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

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933998090
위험 등급: IRRITANT

화학 및 산업

응용 분야 · 1건

용도1-Methyl-1H-benzimidazole-2-methanol acts as a reagent in the synthesis, structure-activity relationship, antibacterial and antifungal activities of benzimidazoles. Design, synthesis and computational validation of novel benzimidazole/indole-based PPARα and PPARβ partial agonists.