HCID421054

4,4-Dimethylcyclohexan-1-amine

C8H17N127.23 g/molCAS 20615-18-3

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IDENTITY

结构与身份

标准SMILES: CC1(C)CCC(N)CC1
InChIKey: CAUXQOLTFGCRKD-UHFFFAOYSA-N
分子式: C8H17N
平均分子量: 127.23 g/mol
单同位素质量: 127.13609955

COMPUTED

结构计算性质

已同步

XLogP: 1.7
极性表面积: 26 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 86

GHS

GHS分类

GHS Classification

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

HAZARDS

危害信息

Hazard Classes and Categories

Skin Corr. 1B (100%)

ALIASES

名称与别名

共 31 条

4,4-dimethylcyclohexan-1-amineRefChem:507434819-562-04,4-Dimethylcyclohexanamine20615-18-34,4-DIMETHYLCYCLOHEXYLAMINECyclohexanamine, 4,4-dimethyl-4,4-Dimethyl-cyclohexylamineMFCD08460046n-dimethyl-cyclohexylaminSCHEMBL13378324,4-dimethyl-1-cyclohexylamineCHEMBL556160844-DimethylcyclohexanamineDTXSID603295SCHEMBL4465219SCHEMBL5029773CHEMBL6069343DTXSID60329547CAUXQOLTFGCRKD-UHFFFAOYSA-N

REACTIONS

相关反应

14 条

uspto-grants-2016_09 · 10.6084/m9.figshare.5104873.v1 · US09447039B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822518B2

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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

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

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08633175B2

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uspto-grants-2007_08 · 10.6084/m9.figshare.5104873.v1 · US07253198B2

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