기본 정보
- CAS
1000536-33-3- 표준 SMILES
COC(=O)C(C)(C)c1ccc(CCO)cc1- InChIKey
MHPPJDQIHMPUHJ-UHFFFAOYSA-N- 분자식
- C13H18O3
- 평균 분자량
- 222.28 g/mol
- 단동위원소 질량
- 222.12559443
이름 및 식별자
- 우선 이름
- Methyl 2-(4-(2-hydroxyethyl)phenyl)-2-methylpropanoate
- IUPAC
- methyl 2-[4-(2-hydroxyethyl)phenyl]-2-methylpropanoate
- 현지명
- 4-(2-Hydroxyethyl)-alpha,alpha-diMethylphenyl-aceticacid메틸에스테르
- 영어명
- 4-(2-Hydroxyethyl)-alpha,alpha-diMethylphenyl-acetic acid Methyl ester
- 분자식
- C13H18O3
- 분자량
- 222.28
이름 및 동의어
1000536-33-3METHYL 2-(4-(2-HYDROXYETHYL)PHENYL)-2-METHYLPROPANOATE4-(2-Hydroxyethyl)-alpha,alpha-diMethylphenyl-acetic acid Methyl esterBenzeneacetic acid, 4-(2-hydroxyethyl)-alpha,alpha-dimethyl-, methyl estermethyl 2-[4-(2-hydroxyethyl)phenyl]-2-methylpropanoateSCHEMBL3656294MHPPJDQIHMPUHJ-UHFFFAOYSA-NAC-29250DB-101214Methyl 2-(4-(2-hydroxyethyl)phenyl)-2-methylpropanoate, 97%2-[4-(2-hydroxy-ethyl)-phenyl]-2-methyl-propionic acid methylester4-(2-Hydroxyethyl)-alpha,alpha-diMethylphenyl-aceticacid메틸에스테르
이름 더 보기
Bilastine Impurity 63Bilastine Impurity 84Methyl 2-(4-(2-hydroxyethyl)phenyl)-2-methylpropionate2-methyl-2-(4-(2-hydroxyethyl)phenyl)propionic acid methyl esterBenzeneacetic acid, 4-(2-hydroxyethyl)-α,α-dimethyl-, methyl ester2-Methyl-2-{4-[2-(toluene-4-sulfonyloxy)-ethyl] -phenyl}-propionic acid Methylester
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 227
물리화학적 성질
- 끓는 점
- 320.4 · 320.4±22.0 °C(Predicted)
- 밀도
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.85 · 14.85±0.10(Predicted)
화학 및 산업
상·하류 제품 정보
하류 제품
공급사40 곳
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Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
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