기본 정보
- 표준 SMILES
CCOC(=O)c1cnc(C)[nH]c1=O- InChIKey
KTZQDIINDVWLES-UHFFFAOYSA-N- 분자식
- C8H10N2O3
- 평균 분자량
- 182.18 g/mol
- 단동위원소 질량
- 182.06914218
이름 및 식별자
- 우선 이름
- Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate
- IUPAC
- ethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylate
- 영어명
- 4-Hydroxy-2-methyl-pyrimidine-5-carboxylic acid ethyl ester
- 분자식
- C8H10N2O3
- 분자량
- 182.18
이름 및 동의어
ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylateDTXSID90967658RefChem:595431DTXCID501395253992-346-253135-24-367383-32-84-Hydroxy-2-methyl-pyrimidine-5-carboxylic acid ethyl esterethyl 2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylateethyl 2-methyl-6-oxo-1H-pyrimidine-5-carboxylateMFCD00223606ethyl 4-hydroxy-2-methyl-5-pyrimidinecarboxylate
이름 더 보기
3-Oxetanol,7-ethynyl-4-Hydroxy-2-methyl-pyrimidine-5-cBenzene,1-(3-bromopropyl)-9-chloro-Ethyl 2-methyl-4-hydroxy-5-pyrimidinecarboxylateEthyl4-hydroxy-2-methylpyrimidine-5-carboxylate,97%Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate?New
AURORA KA-69134-Hydroxy-2-methylpyrimidine-5-carboxylic acidethyl esterMFCD07656562NSC1608743-Hydroxy-2-methylpyrimidine-5-carboxylicMaybridge3_007585ethyl 4-hydroxy-2-methyl-pyrimidine-5-carboxylateSCHEMBL959574
데이터베이스 식별자
- CAS
53135-24-3、67383-32-8- PubChem CID
- 293750
- DTXSID
DTXSID90967658- EC Number
- 675-654-9、992-346-2
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 67.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 305
물리화학적 성질
- 녹는점
- 191 · 191-194°C
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.11 · 8.11±0.50(Predicted)
안전 및 규제
GHS 분류
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
화학 및 산업
상·하류 제품 정보
상류 원료
공급사50 곳
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