1-(diethoxymethyl)-1H-imidazole

HCID 3849535CAS 61278-81-7

기본 정보

표준 SMILES: CCOC(OCC)n1ccnc1
InChIKey: NNQBAGFIYBBAFL-UHFFFAOYSA-N
분자식: C8H14N2O2
평균 분자량: 170.21 g/mol

이름 및 식별자

우선 이름: 1-(diethoxymethyl)-1H-imidazole
IUPAC: 1-(diethoxymethyl)imidazole

이름 및 동의어

1-(Diethoxymethyl)-1H-imidazoleRefChem:427611627-227-31-(Diethoxymethyl)imidazole61278-81-7MFCD009563311-DiethoxymethylimidazoleN-(diethoxymethyl)imidazoleAKOS0003206571-(Diethoxymethyl)imidazole, >=97.0%imidazole-l-carboxaldehyde diethyl acetalEN300-181928

이름 더 보기

F14529methyl(3alpha,14N-diethoxymethylimidazoleFT-0640740SCHEMBL577251-diethoxymethyl-1h-imidazoleAS-93976DB-053829

데이터베이스 식별자

CAS: 61278-81-7
PubChem CID: 3849535
EC Number: 627-227-3
Nikkaji: J2.416.620A

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 36.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 12
형식 전하: 0
복잡도: 116

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

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.