(1-BENZYL-1H-IMIDAZOL-2-YL)메탄올

(1-benzyl-1H-imidazol-2-yl)methanol

HCID 311778CAS 5376-10-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCc1nccn1Cc1ccccc1
InChIKey: SGIKRGDBBXWNRI-UHFFFAOYSA-N
분자식: C11H12N2O
평균 분자량: 188.23 g/mol
단동위원소 질량: 188.094963

이름 및 식별자

우선 이름: (1-benzyl-1H-imidazol-2-yl)methanol
IUPAC: (1-benzylimidazol-2-yl)methanol
현지명: (1-BENZYL-1H-IMIDAZOL-2-YL)메탄올
영어명: (1-BENZYL-1H-IMIDAZOL-2-YL)METHANOL
분자식: C11H12N2O
분자량: 188.23

이름 및 동의어

(1-Benzyl-1H-imidazol-2-yl)methanolDTXSID50309838RefChem:392043DTXCID40260964829-933-95376-10-3(1-benzylimidazol-2-yl)methanol1-Benzyl-2-(hydroxymethyl)imidazole1H-Imidazole-2-methanol, 1-(phenylmethyl)-MFCD001742601-Benzylimidazole-2-methanol1-benzyl-2-hydroxymethylimidazole

이름 더 보기

(1-BENZYL-1H-IMIDAZOL-2-YL)메탄올BUTTPARK 29\04-901-Benzyl-1H-imidazole-2-methanol(3-Benzyl-3H-imidazol-4-yl)-methanol(1-Benzyl-1H-imidazol-2-yl)methanol 97%1-Benzyl-2-(hydroxymethyl)-1H-imidazole1-Benzyl-2-(hydroxymethyl)-1H-imidazole 97%

Imidazole-2-methanol, 1-benzyl-1H-imidazole-2-methanol, 1-(phenylmethyl)-, hydrochlorideMaybridge1_004961CHEMBL351748SCHEMBL2872632SCHEMBL2872636HMS555J11N-benzyl-2-hydroxymethylimidazole

데이터베이스 식별자

CAS: 5376-10-3
PubChem CID: 311778
DTXSID: DTXSID50309838
ChEMBL: CHEMBL351748
EC Number: 829-933-9
Nikkaji: J103.789G

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: 89 · 89-92°C
끓는 점: 354.9 · 354.9±25.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 13.94 · 13.94±0.10(Predicted)
물리적 상태: solid
InChI: InChI=1S/C11H12N2O/c14-9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-7,14H,8-9H2
InChIKey: SGIKRGDBBXWNRI-UHFFFAOYSA-N
SMILES: C1(CO)N(CC2=CC=CC=C2)C=CN=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (50%)

안전 데이터

risk_code: 36/37/38-41
hazard_code: Xi
safety_code: 26-36/37/39-39
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

공급사27 곳

郑州汇聚化工有限公司13393710386 · [email protected]

Aladdin Scientific[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

南京爱珂医药科技有限公司025-58395930 · [email protected]

연결된 노트

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