8-Methyl-8-azabicyclo[3.2.1]octan-3-amine 分子结构式
HCID408394

8-Methyl-8-azabicyclo[3.2.1]octan-3-amine

C8H16N2140.23 g/molCAS 98998-25-5

IDENTITY

结构与身份

标准SMILES
CN1C2CCC1CC(N)C2
InChIKey
HJGMRAKQWLKWMH-UHFFFAOYSA-N
分子式
C8H16N2
平均分子量
140.23 g/mol
单同位素质量
140.13134852

COMPUTED

结构计算性质

已同步
XLogP
0.5
极性表面积
29.3 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
10
形式电荷
0
复杂度
121

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H226 (33.3%): Flammable liquid and vapor [Warning Flammable liquids];H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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

来源:PubChem
Hazard Classes and Categories

Flam. Liq. 3 (33.3%);Acute Tox. 4 (33.3%);Acute Tox. 4 (33.3%);Skin Corr. 1B (33.3%);Skin Irrit. 2 (66.7%);Eye Irrit. 2 (66.7%);Acute Tox. 4 (33.3%);STOT SE 3 (100%)

ALIASES

名称与别名

共 32 条
8-Methyl-8-azabicyclo[3.2.1]octan-3-amineDTXSID609129138-Methyl-8-azabicyclo(3.2.1)octan-3-amineRefChem:548282DTXCID70896710674-333-098998-25-5MFCD002106993-Amino-8-methyl-8-azabicyclo[3.2.1]octane8-methyl-8-azabicyclo[3.2.1]oct-3-ylamineEthanone,2-(methylsulfonyl)-1-(2-pyridinyl)-exo-8-methyl-8-azabicyclo[3.2.1]octan-3-amine8-Azabicyclo[3.2.1]octan-3-amine, 8-methyl-NSC13185SCHEMBL334182SCHEMBL2087753NSC-13185SBB021746AKOS000307828PB14179

REACTIONS

参与反应

28
HRID 93683 反应方程式

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

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HRID 145298 反应方程式

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

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HRID 163620 反应方程式

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

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HRID 302598 反应方程式

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

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HRID 329725 反应方程式

uspto-grants-1990_01 · 10.6084/m9.figshare.5104873.v1 · US04892872

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HRID 402054 反应方程式

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08741900B2

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HRID 506225 反应方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781430B2

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HRID 506226 反应方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781430B2

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