HCID10753388

Benzyl-chroman-2-ylmethyl-amine; oxalic acid

N-benzyl-1-(3,4-dihydro-2H-chromen-2-yl)methanamine

C17H19NO253.34 g/mol

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IDENTITY

结构与身份

标准SMILES: c1ccc(CNCC2CCc3ccccc3O2)cc1
InChIKey: YGSXNPFZXQFLSH-UHFFFAOYSA-N
分子式: C17H19NO
平均分子量: 253.34 g/mol
单同位素质量: 253.14666423

COMPUTED

结构计算性质

已同步

XLogP: 3.4
极性表面积: 21.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 4
重原子: 19
形式电荷: 0
复杂度: 262

ALIASES

名称与别名

共 8 条

CHEMBL134655SCHEMBL5640879CHEMBL1180595YGSXNPFZXQFLSH-UHFFFAOYSA-NBDBM50061690Benzyl-chroman-2-ylmethyl-amine; oxalic acid3,4-dihydro-N-(phenylmethyl)-2H-1-benzopyran-2-methanamine(+/-)-3,4-dihydro-N-(phenylmethyl)-2H-1-benzopyran-2-methanamine

REACTIONS

参与反应

13 条

uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05624952

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uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05624952

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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uspto-grants-1997_03 · 10.6084/m9.figshare.5104873.v1 · US05607949

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uspto-grants-1997_03 · 10.6084/m9.figshare.5104873.v1 · US05607949

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1996_07 · 10.6084/m9.figshare.5104873.v1 · US05541180

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