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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 11368235생성일: 2026년 10월 24일

Benzyl 3,4-dihydro-4-oxo-pyridine-1(2H)-carboxylate

1-Cbz-2,3-dihydropyridin-4(1H)-one · Benzyl 4-oxo-3,4-dihydropyridine-1(2H) · benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate · Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate · Benzyl3,4-dihydro-4-oxo-pyridine-1(2H)-carboxylate · Benzyl 4-oxo-1,2,3,4-tetrahydropyridine-1-carboxylate · 3,4 dihydro-4-oxo-1(2H)-pyridinecarboxylic acid benzyl ester · 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, phenylmethyl ester

https://huagongshe.com/ko/chemical/11368235

Benzyl 3,4-dihydro-4-oxo-pyridine-1(2H)-carboxylate 분자 구조식

식별자 및 물리적 특성

CAS No.185847-84-1
분자식C13H13NO3
평균 분자량231.25 g/mol
단동위원소 질량231.08954328 g/mol
SMILESO=C1C=CN(C(=O)OCc2ccccc2)CC1
InChIKeyOAKHYPNVCUHASC-UHFFFAOYSA-N
PubChem CID11368235
EC No.696-191-9
DTXSIDDTXSID90463761

화학 및 물리적 성질

XLogP1.2
극성 표면적46.6
수소 결합 공여자 수0
수소 결합 수용자 수3
회전 가능 결합 수3
무거운 원자 수17
형식 전하0
복잡도319
녹는점72-73 °C
끓는 점382.2±42.0 °C(Predicted)
밀도1.245±0.06 g/cm3(Predicted)
저장 조건2-8°C
물리적 상태가루
pKa(산도 계수)-4.31±0.20(Predicted)
색상Faint lemon
InChIInChI=1S/C13H13NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChIKeyOAKHYPNVCUHASC-UHFFFAOYSA-N
SMILESC1N(C(OCC2=CC=CC=C2)=O)C=CC(=O)C1

안전 및 규제

GHS 분류WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
관세 코드2933399990