기본 정보
- CAS
134430-95-8- 표준 SMILES
COC(=O)C[C@@H](c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)[C@H](C)c1ccccc1- InChIKey
GBGFPJSLOSSHPI-NJHZRGNWSA-N- 분자식
- C32H33NO3
- 평균 분자량
- 479.6 g/mol
- 단동위원소 질량
- 479.24604391
이름 및 식별자
- 우선 이름
- Methyl (3S)-3-[4-(benzyloxy)phenyl]-3-{benzyl[(1R)-1-phenylethyl]amino}propanoate
- IUPAC
- methyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
- 현지명
- [R-(R*,S*)]-β-[(1-페닐에틸)(페닐메틸)아미노]-4-(페닐메톡시)-벤젠프로판산메틸에스테르
- 영어명
- [R-(R*,S*)]-β-[(1-Phenylethyl)(phenylMethyl)aMino]-4-(phenylMethoxy)-benzenepropanoic Acid Methyl Ester
- 분자식
- C32H33NO3
- 분자량
- 479.60932
이름 및 동의어
134430-95-8methyl (3S)-3-[benzyl-[(1R)-1-phenylethyl]amino]-3-(4-phenylmethoxyphenyl)propanoateMethyl (3S)-3-[4-(benzyloxy)phenyl]-3-{benzyl[(1R)-1-phenylethyl]amino}propanoateDTXSID60858302(betaS)-beta-[[(1R)-1-Phenylethyl](phenylmethyl)amino]-4-(phenylmethoxy)-benzenepropanoic Acid Methyl Este(betaS)-beta-[[(1R)-1-Phenylethyl](phenylmethyl)amino]-4-(phenylmethoxy)-benzenepropanoic Acid Methyl Ester[R-(R*,S*)]-β-[(1-페닐에틸)(페닐메틸)아미노]-4-(페닐메톡시)-벤젠프로판산메틸에스테르(βS)-β-[[(1R)-1-Phenylethyl](phenylMethyl)aMino]-4-(phenylMethoxy)-benzenepropanoic Acid Methyl Ester[R-(R*,S*)]-β-[(1-Phenylethyl)(phenylMethyl)aMino]-4-(phenylMethoxy)-benzenepropanoic Acid Methyl EsterBenzenepropanoic acid, β-[[(1R)-1-phenylethyl](phenylmethyl)amino]-4-(phenylmethoxy)-, methyl ester, (βS)-(βS)-β-[[(1R)-1-Phenylethyl](phenylmethyl)amino]-4-(phenylmethoxy)-benzenepropanoic Acid Methyl Ester, CAS 134430-95-8
데이터베이스 식별자
- CAS
134430-95-8
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 38.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 613
물리화학적 성질
- 끓는 점
- 587.4 · 587.4±50.0 °C(Predicted)
- 밀도
- 1.133 · 1.133±0.06 g/cm3(Predicted)
- 용해도
- 디클로로메탄 에 용해됨
- 산도 계수 (pKa)
- 5.67 · 5.67±0.50(Predicted)
- 물리적 상태
- 기름
- 색상
- 연노랑
화학적 성질
Light Yellow Oil
화학 및 산업
응용 분야
용도(βS)-β-[[(1R)-1-Phenylethyl](phenylmethyl)amino]-4-(phenylmethoxy)-benzenepropanoic Acid Methyl Ester (cas# 134430-95-8) is a compound useful in organic synthesis.
공급사4 곳
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