反应SMILES:CC(C)(C)OC(=O)NC1COCCC1N
HCID67358613

4-Amino-3-(boc-amino)-tetrahydro-2H-pyran

tert-butyl N-(4-aminooxan-3-yl)carbamate

C10H20N2O3216.28 g/mol

IDENTITY

结构与身份

标准SMILES
CC(C)(C)OC(=O)NC1COCCC1N
InChIKey
FEECMUCDEXAFQK-UHFFFAOYSA-N
分子式
C10H20N2O3
平均分子量
216.28 g/mol
单同位素质量
216.1473925

COMPUTED

结构计算性质

已同步
XLogP
0.1
极性表面积
73.6 Ų
氢键供体
2
氢键受体
4
可旋转键
3
重原子
15
形式电荷
0
复杂度
225

ALIASES

名称与别名

共 17 条
1316831-46-54-AMINO-3-(BOC-AMINO)-TETRAHYDRO-2H-PYRANtert-Butyl (4-aminotetrahydro-2H-pyran-3-yl)carbamatetert-butyl N-(4-aminooxan-3-yl)carbamateMFCD21607305Carbamic acid, N-(4-aminotetrahydro-2H-pyran-3-yl)-, 1,1-dimethylethyl esterSCHEMBL2309615FEECMUCDEXAFQK-UHFFFAOYSA-N(4-Amino-tetrahydro-pyran-3-yl)-carbamic acid tert-butyl esterAEC73462AKOS027251321SB44428AS-36267CS-0143509EN300-297656tert-butyl N-(4-aminotetrahydropyran-3-yl)carbamatetert-Butyl(4-aminotetrahydro-2H-pyran-3-yl)carbamate

REACTIONS

参与反应

4
HRID146987

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 146987 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID158738

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 158738 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID826677

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 826677 方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1134195

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物
HRID 1134195 方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看