2-(2-메톡시페닐)-4,4-디메틸-2-옥사졸린

4,4-Dimethyl-2-(2-methoxyphenyl)oxazoline

HCID 333189CAS 57598-33-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccccc1C1=NC(C)(C)CO1
InChIKey: ZGDUNGBWVZKWGE-UHFFFAOYSA-N
분자식: C12H15NO2
평균 분자량: 205.25 g/mol
단동위원소 질량: 205.11027872

이름 및 식별자

우선 이름: 4,4-Dimethyl-2-(2-methoxyphenyl)oxazoline
IUPAC: 2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
현지명: 2-(2-메톡시페닐)-4,4-디메틸-2-옥사졸린
영어명: 2-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline
분자식: C12H15NO2
분자량: 205.25

이름 및 동의어

57598-33-12-(2-Methoxyphenyl)-4,4-dimethyl-2-oxazoline2-(2-Methoxyphenyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazoleU3076TTS1PNSC 3334202-(2'-methoxyphenyl)-4,4-dimethyl-2-oxazoline4,5-DIHYDRO-2-(2-METHOXYPHENYL)-4,4-DIMETHYLOXAZOLE4,4-Dimethyl-2-(2-methoxyphenyl)oxazolineOxazole, 4,5-dihydro-2-(2-methoxyphenyl)-4,4-dimethyl-NSC-3334202-(2-methoxyphenyl)-4,4-dimethyloxazolineDTXSID80206225

이름 더 보기

2-(2-메톡시페닐)-4,4-디메틸-2-옥사졸린LABOTEST-BB LT004546482-(2-METHOXYPHENYL)-4,4-DIMETHYL-OXAZOLINE2-(2-methoxyphenyl)-4,4-dimethyl-5H-oxazole2-(2-METHOXYPHENYL)-4,4-DIMETHYL-2-OXAZOLINE 95%

RefChem:507390DTXCID80128716624-216-52-(2-Methoxyphenyl)-4,4-dimethyl-4,5-dihydrooxazole2-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-oxazoleMFCD001518374,4-Dimethyl-2-(2'-methoxyphenyl)oxazolineNSC333420

데이터베이스 식별자

CAS: 57598-33-1
PubChem CID: 333189
DTXSID: DTXSID80206225
UNII: U3076TTS1P
EC Number: 624-216-5
Nikkaji: J1.285.638E

물성

구조 계산 물성

XLogP: 2
극성 표면적: 30.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 260

물리화학적 성질

녹는점: 68 · 68-70°C
끓는 점: 311.5 · 311.5±25.0 °C(Predicted)
밀도: 1.08 · 1.08±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature
산도 계수 (pKa): 4.88 · 4.88±0.70(Predicted)
InChI: 1S/C12H15NO2/c1-12(2)8-15-11(13-12)9-6-4-5-7-10(9)14-3/h4-7H,8H2,1-3H3
InChIKey: ZGDUNGBWVZKWGE-UHFFFAOYSA-N
SMILES: COc1ccccc1C2=NC(C)(C)CO2

화학적 성질

White to cream/pink solid

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.