HRID52654
uspto-grants-1997_04
作为反应物
uspto-grants-1997_04 · 10.6084/m9.figshare.5104873.v1 · US05616718
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CC1(C)Cc2cccc(N)c2O1
- InChIKey
- LMTIGABGABPAGU-UHFFFAOYSA-N
- 分子式
- C10H13NO
- 平均分子量
- 163.22 g/mol
- 单同位素质量
- 163.09971404
COMPUTED
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 35.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 0
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 179
PROPERTIES
实验与物化性质
Collision Cross Section
135.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2044715]
GHS
GHS 分类
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
Hazard Classes and Categories
Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
USES
用途与制造
General Manufacturing Information
7-Benzofuranamine, 2,3-dihydro-2,2-dimethyl-: INACTIVE
ALIASES
名称与别名
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-amine68298-46-47-Amino-2,3-dihydro-2,2-dimethylbenzofuranDTXSID20447157-Benzofuranamine, 2,3-dihydro-2,2-dimethyl-EINECS 269-570-82,3-Dihydro-2,2-dimethyl-7-aminobenzofuranC3E03FDP2FDTXCID0024715(2,2-DIMETHYL-2,3-DIHYDROBENZOFURAN-7-YL)AMINERefChem:4412672,2-dimethyl-3H-1-benzofuran-7-amine2,3-Dihydro-2,2-dimethylbenzofuran-7-amine2,2-Dimethyl-2,3-dihydrobenzofuran-7-amineMFCD00075581UNII-C3E03FDP2F2,3-Dihydro-2,2-dimethyl-7-benzofuranamine7-Amino-2,2-dimethyl-2,3-dihydrobenzofuranSCHEMBL569823orb3029887
REACTIONS
参与反应
HRID94908
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看条件与参与物HRID233603
uspto-grants-1997_01
作为反应物
uspto-grants-1997_01 · 10.6084/m9.figshare.5104873.v1 · US05593998
查看条件与参与物HRID280469
uspto-grants-1986_05
作为反应物
uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04589909
查看条件与参与物HRID363787
uspto-grants-1999_02
作为反应物
uspto-grants-1999_02 · 10.6084/m9.figshare.5104873.v1 · US05874579
查看条件与参与物HRID440908
uspto-grants-1996_05
作为反应物
uspto-grants-1996_05 · 10.6084/m9.figshare.5104873.v1 · US05521190
查看条件与参与物HRID679292
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看条件与参与物HRID726612
uspto-grants-1998_01
作为反应物
uspto-grants-1998_01 · 10.6084/m9.figshare.5104873.v1 · US05710157
查看条件与参与物