N-(3-(Trifluoromethyl)benzene-1-sulfonyl)phenylalanine
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기본 정보
- CAS
250714-63-7- 표준 SMILES
O=C(O)C(Cc1ccccc1)NS(=O)(=O)c1cccc(C(F)(F)F)c1- InChIKey
JFDJLMGVJXHLOF-UHFFFAOYSA-N- 분자식
- C16H14F3NO4S
- 평균 분자량
- 373.3 g/mol
- 단동위원소 질량
- 373.05956359
이름 및 식별자
- 우선 이름
- N-(3-(Trifluoromethyl)benzene-1-sulfonyl)phenylalanine
- IUPAC
- 3-phenyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
- 영어명
- N-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PHENYLALANINE
- 분자식
- C16H14F3NO4S
- 분자량
- 373.35
이름 및 동의어
250714-63-7DTXSID50380081N-(3-(Trifluoromethyl)benzene-1-sulfonyl)phenylalanineN-[3-(Trifluoromethyl)benzene-1-sulfonyl]phenylalanineRefChem:1091134DTXCID803311073-phenyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic Acid3-phenyl-2-([[3-(trifluoromethyl)phenyl]sulfonyl]amino)propanoic acidN-[3-(Trifluoromethyl)phenylsulfonyl]-DL-phenylalanineMFCD001730053-phenyl-2-[3-(trifluoromethyl)benzenesulfonamido]propanoic acid((3-(trifluoromethyl)phenyl)sulfonyl)phenylalanine
이름 더 보기
N-[3-(Trifluoromethyl)phenylsulfonyl]-DL-phenylalanine,96%N-[3-(TrifluoroMethyl)phenylsulfonyl]-DL-phenylalanine, 96%N-([3-(TRIFLUOROMETHYL)PHENYL]SULFONYL)PHENYLALANINE USP/EP/BP3-phenyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoicaci3-Phenyl-2-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)propanonic acid3-Phenyl-2-({[3-(trifluoromethyl)phenyl]sulphonyl}amino)propanoicacid97%3-Phenyl-2-({[3-(trifluoromethyl)phenyl]sulphonyl}amino)propanoic acid 97%
3-phenyl-2-(3-(trifluoromethyl)phenylsulfonamido)propanoic acid3-phenyl-2-({[3-(trifluoromethyl)phenyl]sulfonyl}amino)propanoic acid3-Phenyl-2-({[3-(trifluoromethyl)phenyl]sulphonyl}amino)propanoic acidN-{[3-(Trifluoromethyl)phenyl]sulphonyl}-DL-phenylalanine3-Phenyl-2-({[3-(trifluoromethyl)phenyl]-sulfonyl}amino)propanoic acidPhenylalanine, N-[[3-(trifluoromethyl)phenyl]sulfonyl]-AKOS000805750AKOS016055061
데이터베이스 식별자
- CAS
250714-63-7- PubChem CID
- 2776443
- DTXSID
DTXSID50380081- EC Number
- 671-586-9
물성
구조 계산 물성보충 중
- XLogP
- 3.4
- 극성 표면적
- 91.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 553
물리화학적 성질
- 녹는점
- 140 · 140-142°C
- 끓는 점
- 512.3 · 512.3±60.0 °C(Predicted)
- 밀도
- 1.423 · 1.423±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.18 · 3.18±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (20%)
안전 데이터
- HS 번호
- 2922498590
- hazard_code
- Xi
- 위험 등급
- IRRITANT
관련 반응
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