1-벤질-5-하이드록시메틸-1H-이미다졸

1-Benzyl-5-hydroxymethyl-1H-imidazole

HCID 2773235

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 80304-50-3
표준 SMILES: OCc1cncn1Cc1ccccc1
InChIKey: GQZILHANXWXTIW-UHFFFAOYSA-N
분자식: C11H12N2O
평균 분자량: 188.23 g/mol
단동위원소 질량: 188.09496301

이름 및 식별자

우선 이름: 1-Benzyl-5-hydroxymethyl-1H-imidazole
IUPAC: (3-benzylimidazol-4-yl)methanol
현지명: 1-벤질-5-하이드록시메틸-1H-이미다졸
영어명: 1-Benzyl-5-hydroxymethyl-1H-imidazole
분자식: C11H12N2O
분자량: 188.23

이름 및 동의어

1-Benzyl-5-hydroxymethyl-1h-imidazole80304-50-3DTXSID60378297RefChem:228114DTXCID00329324801-906-6(3-benzylimidazol-4-yl)methanol(1-benzyl-1H-imidazol-5-yl)methanolMFCD021795241H-Imidazole-5-methanol,1-(phenylmethyl)-Maybridge3_002496SCHEMBL3079356

이름 더 보기

1-벤질-5-하이드록시메틸-1H-이미다졸RARECHEM AL BD 12621-Benzyl-5-(hydroxymethyl)imidazole[3-(phenylmethyl)-4-imidazolyl]methanol1-(Phenylmethyl)-1H-imidazole-5-methanol

SCHEMBL6748340CHEMBL37870671-benzyl-5-hydroxymethylimidazoleGQZILHANXWXTIW-UHFFFAOYSA-NHMS1438B101-Benzyl-5-hydroxymethyl-imidazoleFDA30450CCG-52512

데이터베이스 식별자

CAS: 80304-50-3
PubChem CID: 2773235
DTXSID: DTXSID60378297
ChEMBL: CHEMBL3787067
EC Number: 801-906-6
Nikkaji: J783.222B

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 169

물리화학적 성질

녹는점: 133 · 133-134°C
물리적 상태: solid
InChI: 1S/C11H12N2O/c14-8-11-6-12-9-13(11)7-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChIKey: GQZILHANXWXTIW-UHFFFAOYSA-N
SMILES: OCc1cncn1Cc2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.