2-(4-에틸페닐)-2-메틸프로판산
2-(4-Ethylphenyl)-2-methylpropanoic acid
기본 정보
- CAS
1247119-83-0- 표준 SMILES
CCc1ccc(C(C)(C)C(=O)O)cc1- InChIKey
ZTABWPDSXBXQMV-UHFFFAOYSA-N- 분자식
- C12H16O2
- 평균 분자량
- 192.25 g/mol
- 단동위원소 질량
- 192.11502975
이름 및 식별자
- 우선 이름
- 2-(4-Ethylphenyl)-2-methylpropanoic acid
- IUPAC
- 2-(4-ethylphenyl)-2-methylpropanoic acid
- 현지명
- 2-(4-에틸페닐)-2-메틸프로판산
- 영어명
- 2-(4-ethylphenyl)-2-Methylpropanoic acid
- 분자식
- C12H16O2
- 분자량
- 192.25
이름 및 동의어
2-(4-ethylphenyl)-2-methylpropanoic acid1247119-83-0SL3F26695NRefChem:1061240MFCD131806144-Ethyl-alpha,alpha-dimethylbenzeneacetic acidBenzeneacetic acid, 4-ethyl-alpha,alpha-dimethyl-2-(4-Ethylphenyl)-2-methylpropionic Acid2-(4-ethylphenyl)-2-methyl-propanoic acidSCHEMBL127736SCHEMBL127737ZTABWPDSXBXQMV-UHFFFAOYSA-N
이름 더 보기
2-(4-에틸페닐)-2-메틸프로판산Alectinib Impurity 15Aletinib impurity 15Alectinib Intermediates4-ethyl-α,α-dimethyl-Benzeneacetic acidBenzeneacetic acid, 4-ethyl-α,α-dimethyl-2-(4-ethylphenyl)-2-Methylpropanoic acid-68-{[(2S)-3,3-DIMETHYL-2-OXIRANYL]METHYL}-7-METHOXY-2H-CHROMEN-2-ONE
CS-B0282XZB11983AKOS011833120SB131792-(4-ethylphenyl)-2-methylpropanoicacidCS-13287SY045654DB-364067
데이터베이스 식별자
- CAS
1247119-83-0- PubChem CID
- 58128446
- UNII
- SL3F26695N
- Nikkaji
- J3.595.595J
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 200
물리화학적 성질
- 끓는 점
- 302.8 · 302.8±11.0 °C(Predicted)
- 밀도
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Storage temp. 2-8°C
- 산도 계수 (pKa)
- 4.48 · 4.48±0.10(Predicted)
화학 및 산업
응용 분야
용도2-(4-Ethylphenyl)-2-methylpropanoic Acid an intermediate of Alectinib (C183360), a highly selective and potent anaplastic lymphoma kinase (ALK) inhibitor capable of blocking the resistant gatekeeper mutant, which results in reduced cell growth.
관련 반응
4건
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