HCID2798756

(3-Methylthiophen-2-yl)methanamine

C6H9NS127.21 g/molCAS 104163-35-1

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IDENTITY

结构与身份

标准SMILES: Cc1ccsc1CN
InChIKey: SWZNXCABBUKIPZ-UHFFFAOYSA-N
分子式: C6H9NS
平均分子量: 127.21 g/mol
单同位素质量: 127.04557046

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 54.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 1
重原子: 8
形式电荷: 0
复杂度: 74

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)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.；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

Skin Corr. 1B (100%)

ALIASES

名称与别名

共 37 条

(3-methylthiophen-2-yl)methanamine104163-35-1DTXSID10384025RefChem:207767DTXCID80335049679-009-2(3-Methyl-2-Thienyl)Methylamine1-(3-methyl-2-thienyl)methanamineMFCD020939881-(3-METHYLTHIOPHEN-2-YL)METHANAMINE2-Aminomethyl-3-methylthiophene(3-Methyl-2-thienyl)methanamine1-(3-methyl-2-thienyl)methanamine hydrochloride3-Methylthiophene-2-methylamine2-(Aminomethyl)-3-methylthiophene(3-Methylthien-2-yl)methylamine3-metylthiophene-2-metylamineSCHEMBL243040orb3170180SCHEMBL5842007

REACTIONS

相关反应

19 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 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-1977_02 · 10.6084/m9.figshare.5104873.v1 · US04009160

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uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08063084B2

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uspto-grants-2006_11 · 10.6084/m9.figshare.5104873.v1 · US07138530B2

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uspto-grants-2007_08 · 10.6084/m9.figshare.5104873.v1 · US07253285B2

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uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07304074B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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