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

HCID 11368235CAS 185847-84-1

기본 정보

표준 SMILES: O=C1C=CN(C(=O)OCc2ccccc2)CC1
InChIKey: OAKHYPNVCUHASC-UHFFFAOYSA-N
분자식: C13H13NO3
평균 분자량: 231.25 g/mol
단동위원소 질량: 231.08954328

이름 및 식별자

우선 이름: Benzyl 3,4-dihydro-4-oxo-pyridine-1(2H)-carboxylate
IUPAC: benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate
영어명: Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate
분자식: C13H13NO3
분자량: 231.25

이름 및 동의어

Benzyl 3,4-dihydro-4-oxo-pyridine-1(2H)-carboxylateRefChem:566613696-191-9185847-84-1Benzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylateBenzyl 4-oxo-2,3-dihydropyridine-1-carboxylatebenzyl 4-oxo-1,2,3,4-tetrahydropyridine-1-carboxylateMFCD08437477SCHEMBL3071662DTXSID90463761OAKHYPNVCUHASC-UHFFFAOYSA-NKHA84784

이름 더 보기

Benzyl 4-oxo-3,4-dihydropyridine-1(2H)Benzyl3,4-dihydro-4-oxo-pyridine-1(2H)-carboxylate3,4 dihydro-4-oxo-1(2H)-pyridinecarboxylic acid benzyl ester1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, phenylmethyl esterBenzyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate ISO 9001：2015 REACH3,4-dihydro-4-oxo-1(2H)-pyridinecarboxylic acid benzyl ester,N-carbobenzyloxy-2,3-dihydropyrid-4-one,1-N-(benzyloxycarbonyl)-1,4,5,6-tetrahydro-4-

AKOS015969439EG-0027SB116801-Cbz-2,3-dihydropyridin-4(1H)-oneDA-17762SY123703CS-0035499F468934

데이터베이스 식별자

CAS: 185847-84-1
PubChem CID: 11368235
DTXSID: DTXSID90463761
EC Number: 696-191-9
Nikkaji: J2.054.331K

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 46.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 319

물리화학적 성질

녹는점: 72 · 72-73 °C
끓는 점: 382.2 · 382.2±42.0 °C(Predicted)
밀도: 1.245 · 1.245±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 가루
산도 계수 (pKa): -4.31 · -4.31±0.20(Predicted)
색상: Faint lemon
InChI: InChI=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
InChIKey: OAKHYPNVCUHASC-UHFFFAOYSA-N
SMILES: C1N(C(OCC2=CC=CC=C2)=O)C=CC(=O)C1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

상·하류 제품 정보

하류 제품

Benzyl 5-broMo-4-oxo-3,4-dihydropyridine-1(2H)-carboxylate 1-CBZ-2-프로필-피페리딘-4-원

공급사50 곳

奥思恩（北京）科技有限公司18201687790 18201687790 · [email protected]

青岛鼎新海诺商贸有限公司18661607483

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]

연결된 노트

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