反应SMILES:CN(C)c1nc(Cl)nc2ccccc12
HCID12684342

2-Chloro-N,N-dimethylquinazolin-4-amine

C10H10ClN3207.66 g/molCAS 35691-16-8

IDENTITY

结构与身份

标准SMILES
CN(C)c1nc(Cl)nc2ccccc12
InChIKey
DTTPDWSQHPZGEY-UHFFFAOYSA-N
分子式
C10H10ClN3
平均分子量
207.66 g/mol
单同位素质量
207.056325

COMPUTED

结构计算性质

已同步
XLogP
3.1
极性表面积
29 Ų
氢键供体
0
氢键受体
3
可旋转键
1
重原子
14
形式电荷
0
复杂度
198

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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 Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

ALIASES

名称与别名

共 21 条
2-Chloro-N,N-dimethylquinazolin-4-amine35691-16-8DTXSID70506822RefChem:469830DTXCID00457631887-952-8(2-Chloroquinazolin-4-yl)-dimethylamineMFCD002284184-dimethylamino-2-chloroquinazoline(2-Chloro-quinazolin-4-yl)-dimethyl-amineSCHEMBL1084629DTTPDWSQHPZGEY-UHFFFAOYSA-NALBB-031063KBA69116AKOS011765110(2-chloro-quinazolin-4-yl)-dimethylamineLS-111942-chloro-N,N-dimethyl-quinazolin-4-amineCS-0437672EN300-247350

REACTIONS

参与反应

29
HRID44376

uspto-grants-2013_09

作为反应物
HRID 44376 方程式

uspto-grants-2013_09 · 10.6084/m9.figshare.5104873.v1 · US08541421B2

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HRID471507

uspto-grants-2014_01

作为反应物
HRID 471507 方程式

uspto-grants-2014_01 · 10.6084/m9.figshare.5104873.v1 · US08633186B2

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HRID672894

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

作为反应物
HRID 672894 方程式

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

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HRID678891

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

作为反应物
HRID 678891 方程式

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

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HRID711645

uspto-grants-2015_11

作为反应物
HRID 711645 方程式

uspto-grants-2015_11 · 10.6084/m9.figshare.5104873.v1 · US09181276B2

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HRID811182

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 811182 方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID811991

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 811991 方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID959779

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 959779 方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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