1-트리틸-1H-이미다졸-4-메탄올

[1-(triphenylmethyl)-1H-imidazol-4-yl]methanol

HCID 382182CAS 33769-07-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: OCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIKey: DVQYFYUODSFBFS-UHFFFAOYSA-N
분자식: C23H20N2O
평균 분자량: 340.4 g/mol
단동위원소 질량: 340.15756326

이름 및 식별자

우선 이름: [1-(triphenylmethyl)-1H-imidazol-4-yl]methanol
IUPAC: (1-tritylimidazol-4-yl)methanol
현지명: 1-트리틸-1H-이미다졸-4-메탄올
영어명: 1-Trityl-1H-imidazole-4-methanol
분자식: C23H20N2O
분자량: 340.42

이름 및 동의어

[1-(triphenylmethyl)-1H-imidazol-4-yl]methanol(1-(triphenylmethyl)-1H-imidazol-4-yl)methanolRefChem:391960672-910-133769-07-21-Trityl-1H-imidazole-4-methanol(1-Trityl-1H-imidazol-4-yl)methanol(1-tritylimidazol-4-yl)methanolMFCD021795534-Hydroxymethyl-1H-tritylimidazoleNSC6696414-(HYDROXYMETHYL)-1-TRITYL-1H-IMIDAZOLE

이름 더 보기

1-트리틸-1H-이미다졸-4-메탄올RARECHEM AL BD 09311-TRITYL-IMIDOZOLE-4-METHANOL1-TRITYL IMIDAZOLE-2-METHANOL1-Trityl-1H-imidazole-4-methanol98%(1-TRITYL-1H-IMIDAZOL-4-YL)-METHANOL1-Triphenylmethylimidazole-4-methanol

Imidazole-5-methanol, 3-trityl-4-(Hydroxymethyl)-1-tritylimidazoleMedetomidine Impurity 2SCHEMBL1342CHEMBL20058854-hydroxymethyl-1-tritylimidazoleDTXSID603276041-trityl-4-hydroxymethyl-imidazole

데이터베이스 식별자

CAS: 33769-07-2
PubChem CID: 382182
DTXSID: DTXSID60327604
ChEMBL: CHEMBL2005885
EC Number: 672-910-1
Nikkaji: J1.825.155H

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 26
형식 전하: 0
복잡도: 376

물리화학적 성질

녹는점: 226 · 226-232
끓는 점: 516.1 · 516.1±45.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 13.61 · 13.61±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (33.3%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.