CAS 67467-96-3 2-Methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal (HCID 228989)

기본 정보

CAS: 67467-96-3
표준 SMILES: CCC(C)(C)c1ccc(CC(C)C=O)cc1
InChIKey: YEDZFQXXPSYBGE-UHFFFAOYSA-N
분자식: C15H22O
평균 분자량: 218.33 g/mol
단동위원소 질량: 218.16706532

이름 및 식별자

우선 이름: 2-Methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal
IUPAC: 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal
영어명: 2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal
분자식: C15H22O
분자량: 218.33

이름 및 동의어

67467-96-32-methyl-3-[4-(2-methylbutan-2-yl)phenyl]propanal4-(1,1-Dimethylpropyl)-a-methyl-benzenepropanal2-methyl-3-(4-(tert-pentyl)phenyl)propanal3-[4-(1,1-Dimethylpropyl)phenyl]-2-methylpropionaldehyde; NSC 22277NSC22277Amorolfine Impurity N1Amorolfine Impurity 29SCHEMBL4447719DTXSID40281634YEDZFQXXPSYBGE-UHFFFAOYSA-NNSC-22277

이름 더 보기

Amorolfine Impurity 133-(4-tert-pentylphenyl)-2-methylpropanal4-(1,1-Dimethylpropyl)-α-methylbenzenepropanal4-(1,1-Dimethylpropyl)-α-methyl-benzenepropanalBenzenepropanal, 4-(1,1-dimethylpropyl)-α-methyl-4-(1,1-Dimethylpropyl)-alpha-methyl-benzenepropanal3-[4-(1,1-dimethyl-propyl)-phenyl]-2-methyl-propionaldehyde

DA-251023-(p-tert.amyl-phenyl)-2-methyl-propionaldehyde3-(p-tert.-amyl-phenyl)-2-methyl-propionaldehyde

데이터베이스 식별자

CAS: 67467-96-3
PubChem CID: 228989
DTXSID: DTXSID40281634

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 5
무거운 원자 수: 16
형식 전하: 0
복잡도: 211

물리화학적 성질

저장 조건: Refrigerator, under inert atmosphere
용해도: 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
물리적 상태: 기름
색상: 무색~담황색
안정성: 공기에 민감한

화학 및 산업

응용 분야 · 1건

용도4-(1,1-Dimethylpropyl)-α-methyl-benzenepropanal is an intermediate in the synthesis of trans-Amorolfine (A634165). trans-Amorolfine is an analog / impurity of Amorolfine (A634170, HCl); a morpholine antifungal drug and topical solution for the treatment of toenail infections.