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기본 정보
- CAS
1374635-87-6- 표준 SMILES
CC(C)(C)OC(=O)NCC1(Nc2nc(Cl)ncc2Br)CCCCC1- InChIKey
GPCHFSKUUKKXAN-UHFFFAOYSA-N- 분자식
- C16H24BrClN4O2
- 평균 분자량
- 419.74 g/mol
이름 및 식별자
- 우선 이름
- Carbamic acid, N-[[1-[(5-bromo-2-chloro-4-pyrimidinyl)amino]cyclohexyl]methyl]-, 1,1-dimethylethyl ester
- 영어명
- Carbamic acid, N-[[1-[(5-bromo-2-chloro-4-pyrimidinyl)amino]cyclohexyl]methyl]-, 1,1-dimethylethyl ester
- 분자식
- C16H24BrClN4O2
- 분자량
- 419.74
이름 및 동의어
tert-Butyl ((1-((5-bromo-2-chloropyrimidin-4-yl)amino)cyclohexyl)methyl)carbamateGabapentin Impurity 315-Bromo-2-chloro-N-[1-[(Boc-amino)methyl]cyclohexyl]pyrimidin-4-aminetert-butyl N-[[1-[(5-bromo-2-chloro-pyrimidin-4-yl)amino]cyclohexyl]methyl]carbamate1,1-Dimethylethyl N-[[1-[(5-brmo-2-chloro-4-pyrimidinyl)amino]cyclohexyl]methyl]carbamate2-Methylpropan-2-yl [({[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexyl}methyl)amino]methanoateCarbamic acid, N-[[1-[(5-bromo-2-chloro-4-pyrimidinyl)amino]cyclohexyl]methyl]-, 1,1-dimethylethyl ester
데이터베이스 식별자
- CAS
1374635-87-6- PubChem CID
- 86695602
- UNII
- 397YYW965V
물성
물리화학적 성질
- 끓는 점
- 555.8 · 555.8±35.0 °C(Predicted)
- 밀도
- 1.397 · 1.397±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.81 · 12.81±0.46(Predicted)
- InChI
- InChI=1S/C16H24BrClN4O2/c1-15(2,3)24-14(23)20-10-16(7-5-4-6-8-16)22-12-11(17)9-19-13(18)21-12/h9H,4-8,10H2,1-3H3,(H,20,23)(H,19,21,22)
- InChIKey
- GPCHFSKUUKKXAN-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NCC1(NC2C(Br)=CN=C(Cl)N=2)CCCCC1
화학적 성질
Carbamic acid, N-[[1-[(5-bromo-2-chloro-4-pyrimidinyl)amino]cyclohexyl]methyl]-, 1,1-dimethylethyl ester is a white solid, it can undergo nucleophilic substitution reaction and condensation reactions, etc.
화학 및 산업
상·하류 제품 정보
상류 원료
공급사29 곳
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