HCID103787

1,3,3-Trimethyl-6-azabicyclo(3.2.1)octane

1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

C10H19N153.26 g/molCAS 53460-46-1

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IDENTITY

结构与身份

标准SMILES: CC1(C)CC2CC(C)(CN2)C1
InChIKey: FRAKHUZTNLUGPB-UHFFFAOYSA-N
分子式: C10H19N
平均分子量: 153.26 g/mol
单同位素质量: 153.15174961

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 12 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 174

GHS

GHS分类

GHS Classification

Warning

H400 (98.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410 (98.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 107 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

Hazard Classes and Categories

Aquatic Acute 1 (98.1%)；Aquatic Chronic 1 (98.1%)

USES

用途与制造

General Manufacturing Information

6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-: ACTIVE

ALIASES

名称与别名

共 32 条

1,3,3-TRIMETHYL-6-AZABICYCLO[3.2.1]OCTANE53460-46-11,3,3-Trimethyl-6-azabicyclo(3.2.1)octane6-Azabicyclo[3.2.1]octane, 1,3,3-trimethyl-6-Azabicyclo(3.2.1)octane, 1,3,3-trimethyl-DTXSID30886056RefChem:72218DTXCID108941591,3,3-TABO258-569-8EINECS 258-569-8MFCD00066934(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octanerac-(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octaneSCHEMBL55793SCHEMBL212343SCHEMBL6242412ALBB-013681SBB056751AKOS005174030

REACTIONS

相关反应

19 条

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 (6/10) · 10.1039/C8SC04228D

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uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08383668B2

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uspto-grants-2003_05 · 10.6084/m9.figshare.5104873.v1 · US06566362B2

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08048908B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07700583B2

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uspto-grants-2010_04 · 10.6084/m9.figshare.5104873.v1 · US07700583B2

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

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