5-(Pyridin-3-yl)pentan-2-amine 分子结构式
HCID13739741

5-(Pyridin-3-yl)pentan-2-amine

5-pyridin-3-ylpentan-2-amine

C10H16N2164.25 g/molCAS 111848-81-8

IDENTITY

结构与身份

标准SMILES
CC(N)CCCc1cccnc1
InChIKey
FVWVJTJAALVOQO-UHFFFAOYSA-N
分子式
C10H16N2
平均分子量
164.25 g/mol
单同位素质量
164.13134852

COMPUTED

结构计算性质

已同步
XLogP
1.1
极性表面积
38.9 Ų
氢键供体
1
氢键受体
2
可旋转键
4
重原子
12
形式电荷
0
复杂度
114

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, 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

来源:PubChem
Hazard Classes and Categories

Acute Tox. 4 (100%);Skin Corr. 1B (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 16 条
5-(pyridin-3-yl)pentan-2-amine111848-81-8RefChem:531599998-193-85-pyridin-3-ylpentan-2-amine(2R)-5-(3-pyridyl)pentan-2-amineSCHEMBL3244065alpha-methyl-3-pyridinebutanamineFVWVJTJAALVOQO-UHFFFAOYSA-NLEA84881AKOS022300104rac. alpha-methyl-3-pyridinebutanamineSB47732SB47740EN300-250921Z1255362761

REACTIONS

参与反应

9
HRID 306959 反应方程式

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

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HRID 1110466 反应方程式

uspto-grants-1990_12 · 10.6084/m9.figshare.5104873.v1 · US04975438

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HRID 1651088 反应方程式

uspto-grants-1990_05 · 10.6084/m9.figshare.5104873.v1 · US04927826

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HRID 1651190 反应方程式

uspto-grants-1990_05 · 10.6084/m9.figshare.5104873.v1 · US04927838

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HRID 2073294 反应方程式

uspto-grants-1990_04 · 10.6084/m9.figshare.5104873.v1 · US04916145

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HRID 2073302 反应方程式

uspto-grants-1990_04 · 10.6084/m9.figshare.5104873.v1 · US04916145

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HRID 2232127 反应方程式

uspto-grants-1988_11 · 10.6084/m9.figshare.5104873.v1 · US04786646

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HRID 2232706 反应方程式

uspto-grants-1988_11 · 10.6084/m9.figshare.5104873.v1 · US04788206

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