N~2~-{[(1R,2R)-2-Aminocyclohexyl]carbamothioyl}-N-benzyl-N,3-dimethyl-L-valinamide
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기본 정보
- CAS
479423-21-7- 표준 SMILES
CN(Cc1ccccc1)C(=O)[C@@H](NC(=S)N[C@@H]1CCCC[C@H]1N)C(C)(C)C- InChIKey
CNEVMNSDRMDKFO-KZNAEPCWSA-N- 분자식
- C21H34N4OS
- 평균 분자량
- 390.597 g/mol
- 단동위원소 질량
- 390.24533271
이름 및 식별자
- 우선 이름
- N~2~-{[(1R,2R)-2-Aminocyclohexyl]carbamothioyl}-N-benzyl-N,3-dimethyl-L-valinamide
- IUPAC
- N~2~-{[(1R,2R)-2-Aminocyclohexyl]carbamothioyl}-N-benzyl-N,3-dimethyl-L-valinamide
- 영어명
- (2S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide, (S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-benzyl-N-3,3-trimethylbutanamide
- 분자식
- C21H34N4OS
- 분자량
- 390.59
이름 및 동의어
(S)-2-[[(1R,2R)-2-Aminocyclohexyl]thioureido]-N-benzyl-N,3,3-trimethylbutanamide(S)-2-(3-((1R,2R)-2-Aminocyclohexyl)thioureido)-N-benzyl-N,3,3-trimethylbutanamide(S)-2-(1-((1R,2R)-2-aminocyclohexyl)thioureido)-N-benzyl-N,3,3-trimethylbutanamide(2S)-2-[[[[(1R,2R)-2-aMinocyclohexyl]aMino]thioxoMethyl]aMino]-N,3,3-triMethyl-N-(phenylMethyl)-ButanaMideButanaMide, 2-[[[[(1R,2R)-2-aMinocyclohexyl]aMino]thioxoMethyl]aMino]-N,3,3-triMethyl-N-(phenylMethyl)-, (2S)-(2S)-2-[[[[(1R,2R)-2- Aminocyclohexyl]amino]thioxomethyl]amino]-N,3,3- trimethyl-N-(phenylmethyl)butanamide,99%e.e.(2S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N,3,3-trimethyl-N-(phenylmethyl)butanamide, 98%, (99% ee)(2S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide, (S)-2-[[[[(1R(2S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide, (S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]t(2S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-3,3-trimethyl-N-(phenylmethyl)butanamide, (S)-2-[[[[(1R,2R)-2-Aminocyclohexyl]amino]thioxomethyl]amino]-N-benzyl-N-3,3-tri
데이터베이스 식별자
- CAS
479423-21-7- PubChem CID
- 57332980
- DTXSID
DTXSID70720844- EC Number
- 637-161-7
- Nikkaji
- J2.327.106K
물성
물리화학적 성질
- 녹는점
- 71 · 71-85 °C
- 끓는 점
- 531.8 · 531.8±60.0 °C(Predicted)
- 밀도
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C, protect from light, stored under nitrogen
- 산도 계수 (pKa)
- 12.67 · 12.67±0.70(Predicted)
화학적 성질
White powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 29309090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
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