(2,3-二氢-苯并[1,4]二氧杂芑-2-基甲基)-甲基-胺 | 2242-31-1
(2,3-二氢-苯并[1,4]二氧杂芑-2-基甲基)-甲基-胺
(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amine
2242-31-1
C10H13NO2
179.21572
名称和标识符
MDL |
MFCD01659517 |
InChIKey |
RPZMFKMYOVWSQN-UHFFFAOYSA-N |
Inchi |
InChI=1S/C10H13NO2/c1-11-6-8-7-12-9-4-2-3-5-10(9)13-8/h2-5,8,11H,6-7H2,1H3 |
SMILES |
CNCC1COC2=CC=CC=C2O1 |
别名信息
- 中文别名 -
- (2,3-二氢-苯并[1,4]二噁英-2-甲基)-甲基- 胺
- (2,3-二氢-苯并[1,4]二氧杂芑-2-基甲基)-甲基-胺
- 英文别名 -
- 1-(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)-N-methylmethanamine
- (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amine
- (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl-amine hydrochloride
- 1,4-Benzodioxin-2-methanamine,2,3-dihydro-N-methyl-
- 1,4-BENZODIOXAN-2-METHYLAMINE,N-METHYL
- 882F
- Methylaminomethylbenzodioxan
- N-Methyl-1,4-benzodioxan-2-methylamine
- (2,3-dihydro-1,4-benzodioxin-2-ylmethyl)(methyl)amine
- Oprea1_026934
- [(2,3-dihydro-1,4-benzodioxin-2-yl)methyl](methyl)amine
- AKOS000301368
- CS-0216129
- CHEMBL4555564
- DTXSID00945088
- EN300-34200
- Oprea1_854545
- 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylmethanamine
- BRN 0164504
- AKOS016345553
- F2158-0949
- SCHEMBL443012
- Z56960248
- 2242-31-1
- (2,3-dihydro-1,4-benzodioxin-2-ylmethyl)methylamine
- AM100535
- 1-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-methylmethanamine
- 4-19-00-04091 (Beilstein Handbook Reference)
- N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-N-methylamine
- A919953
- (2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-methyl- amine
- 1,4-BENZODIOXAN-2-METHYLAMINE, N-METHYL-
- 1-(2, 3-dihydro-1, 4-benzodioxin-3-yl)-N-methylmethanamine
物化性质
实验特性
LogP |
2.23870 |
PSA |
30.49000 |
折射率 |
1.518 |
沸点 |
261.2°C at 760 mmHg |
闪点 |
102 °C |
密度 |
1.087 |
计算特性
精确分子量 |
215.07100 |
氢键供体数量 |
1 |
氢键受体数量 |
3 |
可旋转化学键数量 |
2 |
同位素质量 |
179.094629 |
重原子数量 |
13 |
复杂度 |
163 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
1 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
1.3 |
拓扑分子极性表面积 |
30.5 |
海关数据
海关编码 |
2932999099 |
海关数据 |
中国海关编码:
2932999099
概述:
2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途
Summary:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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