기본 정보
- CAS
299949-24-9- 표준 SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(C)cc1- InChIKey
KTAAWYJATJFYRS-UHFFFAOYSA-N- 분자식
- C15H18N2O3
- 평균 분자량
- 274.31 g/mol
- 단동위원소 질량
- 274.13174244
이름 및 식별자
- 우선 이름
- Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 영어명
- ETHYL 6-METHYL-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
- 분자식
- C15H18N2O3
- 분자량
- 274.32
이름 및 동의어
299949-24-9ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylateDTXSID90304509RefChem:344589DTXCID70255641ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateethyl 6-methyl-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylateMFCD00719779ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylateethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4- tetrahydro-5-pyrimidinecarboxylateNSC166058Maybridge1_008370
이름 더 보기
BUTTPARK 78\40-44ET 6-METHYL-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(4-methylphenyl)-2-oxo-, ethyl ester
Oprea1_334968Oprea1_717943SCHEMBL1227524SCHEMBL28024297HMS565E10KTAAWYJATJFYRS-UHFFFAOYSA-NSTK364115AKOS000573678
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 423
물리화학적 성질
- 녹는점
- 218 · 218-219°C
- 끓는 점
- 403.2 · 403.2±45.0 °C(Predicted)
- 밀도
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.46 · 11.46±0.70(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
공급사3 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
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