2-하이드록시-6-메틸-4-페닐-1,4-디하이드로-피리미딘-5-카르복실산에틸에스테르

Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylate

HCID 220272CAS 5395-36-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1
InChIKey
URMNHHAUVFEMIG-UHFFFAOYSA-N
분자식
C14H16N2O3
평균 분자량
260.29 g/mol
단동위원소 질량
260.11609238

이름 및 식별자

우선 이름
Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylate
IUPAC
ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
현지명
2-하이드록시-6-메틸-4-페닐-1,4-디하이드로-피리미딘-5-카르복실산에틸에스테르
영어명
2-Hydroxy-6-methyl-4-phenyl-1,4-dihydro-pyrimidine-5-carboxylic acid ethyl ester
분자식
C14H16N2O3
분자량
260.29

이름 및 동의어

Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylateRefChem:593200637-265-25395-36-8ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylateEthyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateMFCD00124778ethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylateNSC2780Maybridge1_0058515-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-phenyl-, ethyl ester6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyriMidine-5-carboxylic Acid, Ethyl Ester
이름 더 보기
2-하이드록시-6-메틸-4-페닐-1,4-디하이드로-피리미딘-5-카르복실산에틸에스테르NSC 5975NSC 2780NSC 24338NSC 14857ST5016018ST5451282MFCD0012477BAS 03148543
Oprea1_7244182-Hydroxy-6-Methyl-4-Phenyl-1,4-Dihydro-Pyrimidine-5-Carboxylic Acid Ethyl EsterCHEMBL507603HMS1673D07NSC-2780NSC24338STK068196AKOS000296710

데이터베이스 식별자

CAS
5395-36-8
PubChem CID
220272
DTXSID
DTXSID80277536
ChEMBL
CHEMBL507603
EC Number
637-265-2
Nikkaji
J51.383K

물성

구조 계산 물성

XLogP
1.4
극성 표면적
67.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
4
무거운 원자 수
19

물리화학적 성질

녹는점
202 · 202-203°C
끓는 점
203 · 203-205 °C
밀도
1.169 · 1.169±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
물리적 상태
powder to crystal
산도 계수 (pKa)
11.34 · 11.34±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)；Eye Irrit. 2 (100%)

안전 데이터

HS 번호
2933599590
hazard_code
Xi
위험 등급
IRRITANT

화학 및 산업

응용 분야

용도6-Methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic Acid, Ethyl Ester (cas# 5395-36-8) is a compound useful in organic synthesis.

공급사48 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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연결된 노트

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Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylate (HCID 220272)｜Huagongshe