tert-Butyl ((2S,3R)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate
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기본 정보
- CAS
160232-08-6- 표준 SMILES
CC(C)CNC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C- InChIKey
NVEPLQDORJSXRO-DLBZAZTESA-N- 분자식
- C19H32N2O3
- 평균 분자량
- 336.5 g/mol
- 단동위원소 질량
- 336.24129288
이름 및 식별자
- 우선 이름
- tert-Butyl ((2S,3R)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamate
- IUPAC
- tert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
- 영어명
- tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate
- 분자식
- C19H32N2O3
- 분자량
- 336.47
이름 및 동의어
DTXSID10432611EC 605-203-3tert-Butyl ((2S,3R)-3-hydroxy-4-((2-methylpropyl)amino)-1-phenylbutan-2-yl)carbamatetert-Butyl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate1,1-Dimethylethyl N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]carbamate1,1-Dimethylethyl N-((1S,2R)-2-hydroxy-3-((2-methylpropyl)amino)-1-(phenylmethyl)propyl)carbamateRefChem:891518DTXCID30383439605-203-3160232-08-6tert-Butyl ((2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl)carbamatetert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate
이름 더 보기
N-[(1S,2R)-2-Hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]carbamic Acid 1,1-Dimethylethyl EsterFosamprenavir Impurity 11Fosamprenavir Calcium Intermediatestert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)prop...tert-Butyl (2R,3S)-(1-benzyl-2-hydroxy-3-isobutylamino-propyl)-carbamateert-butylN-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamate
MFCD15144668C19H32N2O3tert-butyl (2S,3R)-3-hydroxy-4-(isobutylamino)-1-phenylbutan-2-ylcarbamateCarbamic acid, N-[(1S,2R)-2-hydroxy-3-[(2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester(2R,3S)-3-(Boc-amino)-1-(isobutylamino)-4-phenyl-2-butanoltert-butyl N-[(2S,3R)-3-hydroxy-4-(2-methylpropylamino)-1-phenylbutan-2-yl]carbamatetert-Butyl [(2S,3R)-3-Hydroxy-4-(isobutylamino)-1-phenylbutan-2-yl]carbamatetert-Butyl N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[(2-methylpropyl)amino]propyl]carbamate
데이터베이스 식별자
- CAS
160232-08-6- PubChem CID
- 9902339
- DTXSID
DTXSID10432611- UNII
- F7HZN4J5DU
- EC Number
- 605-203-3
- Nikkaji
- J1.649.054G
물성
구조 계산 물성보충 중
- XLogP
- 3.2
- 극성 표면적
- 70.6 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 360
물리화학적 성질
- 녹는점
- 145 °C · 145 °C
- 끓는 점
- 484.7 · 484.7±45.0 °C(Predicted)
- 밀도
- 1.039 · 1.039±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 용해도
- 에 용해됨클로로포름, 디클로로메탄, 메탄올
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 12.07 · 12.07±0.46(Predicted)
- 색상
- 하얀색
화학적 성질
White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 26-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20856
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
관련 반응
6건
화합물 노트
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