기본 정보
- CAS
1093351-24-6- 표준 SMILES
CCOC(=O)[C@H]1CC[C@H](N)[C@H](NC(=O)OC(C)(C)C)C1.O=C(O)C(=O)O- InChIKey
XOOSYRSTVVOEEP-PBDVDRNWSA-N- 분자식
- C16H28N2O8
- 평균 분자량
- 376.4 g/mol
- 단동위원소 질량
- 376.18456586
이름 및 식별자
- 우선 이름
- (1S,3R,4S)-Ethyl 4-amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate oxalate
- IUPAC
- ethyl (1S,3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;oxalic acid
- 영어명
- (1S,3R,4S)-Ethyl 4-AMino-3-((tert-butoxycarbonyl)aMino)cyclohexanecarboxylate Oxalate
- 분자식
- C16H28N2O8
- 분자량
- 376.40212
이름 및 동의어
1093351-24-6(1S,3R,4S)-Ethyl 4-amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate oxalateethyl (1S,3R,4S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate;oxalic acidXOOSYRSTVVOEEP-PBDVDRNWSA-N(1S,3R,4S)-4-Amino-3-[[(1,1-dimethylethoxy)carbonyl]amino]-cyclohexanecarboxylic Acid Ethyl Ester EthanedioateEthyl (1S,3R,4S)-4-amino-3-t-butoxycarbonylaminocyclohexanecarboxylate oxalate(1S,3R,4S)-ETHYL 4-AMINO-3-((TERT-BUTOXYCARBONYL)*Gadodiamide Impurity 3 (Gadodiamide EP Impurity C)(Methylamine)ethyl(1S,3R,4S)-4-amino-3-t-butoxycarbonylaminocyclohexanecarboxylateoxalate(1S,3R,4S)-ethyl 4-amino-3-((tert- butoxycarbonyl)amino)cyclohexane-1-carboxylate oxalate(1S,3R,4S)-ethyl 4-amino-3-((tert-butoxycarbonyl)amino)cyclohexane-1-carboxylate (edoxaban mesylate intermediate)Ethyl-3-(3-amino-4-(methylamino)-N-(pyridin-2-yl)benzamido)propanoate (Intermediate of Dabigatran etexilate mesylate)
이름 더 보기
(1S,3R,4S)-ethyl 4-amino-3-((tert- butoxycarbonyl)amino)cyclohexane-1-carboxylate oxalate (Intermediate of Edoxaban mesylate)
물성
구조 계산 물성
- 극성 표면적
- 165 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 423
화학 및 산업
응용 분야
용도(1S,3R,4S)-Ethyl 4-Amino-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylate Oxalate has been used as a reactant for the preparation of oxadiazole compounds containing cyclohexanediamine moiety.
공급사17 곳
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