2-丙基苯并咪唑 | 5465-29-2
2-丙基苯并咪唑
2-propyl-1H-1,3-benzodiazole
5465-29-2
C10H12N2
160.2157
名称和标识符
MDL |
MFCD00087477 |
InChIKey |
FBLJZPQLNMVEMR-UHFFFAOYSA-N |
Inchi |
1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12) |
SMILES |
N1([H])C2=C([H])C([H])=C([H])C([H])=C2N=C1C([H])([H])C([H])([H])C([H])([H])[H] |
BRN |
0118511 |
别名信息
- 中文别名 -
- 2-丙基苯并咪唑
- 5-甲氧基吲哚-3-乙腈
- 2-丙基-1H-苯并[d]咪唑
- 英文别名 -
- 2-Propylbenzimidazole
- 2-Propyl-1H-benzimidazole
- 2-Propyl-1H-benzo[d]imidazole
- 1H-Benzimidazole, 2-propyl-
- 2-propyl-1H-1,3-benzodiazole
- BENZIMIDAZOLE, 2-PROPYL-
- 1H-Benzimidazole, 2-propyl- (9CI)
- ZAS7IXN9P8
- 2-Propyl-1H-benzoimidazole
- FBLJZPQLNMVEMR-UHFFFAOYSA-N
- PubChem21433
- Enamine_005118
- 1H-Benzimidazole,2-propyl-
- MLS000564234
- 2-Propyl-1H-b
- InChI=1/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12
- NSC-40172
- AM20040687
- 2-Propyl-1H-benzimidazole #
- CS-W002355
- BB 0218033
- FT-0649871
- Z55692902
- DTXSID30203108
- EN300-02976
- NSC40172
- AKOS000271113
- SMR000151838
- SY015986
- A15643
- NCGC00246151-01
- UNII-ZAS7IXN9P8
- BCP26962
- HMS2411G15
- 5465-29-2
- FS-2307
- 2-propyl-1H-benzo[d]imidazole
- IDI1_007705
- NSC-28962
- Q-101094
- 2-propyl-1H-benzo[d]imidazole
- 2-Propylbenzimidazole
- BRN 0118511
- MFCD00087477
- NSC28962
- NSC 28962
- CHEMBL348508
- SCHEMBL612507
- HMS1408I14
- DS-0770
- F0293-0118
- 5-23-06-00498 (Beilstein Handbook Reference)
- BDBM50404849
- NSC 40172
物化性质
实验特性
LogP |
2.51540 |
PSA |
28.68000 |
折射率 |
1.621 |
沸点 |
348.8°C at 760 mmHg |
闪点 |
179.4℃ |
颜色与性状 |
白色晶体 |
密度 |
1.109 |
计算特性
精确分子量 |
160.10000 |
氢键供体数量 |
1 |
氢键受体数量 |
1 |
可旋转化学键数量 |
2 |
同位素质量 |
160.1 |
重原子数量 |
12 |
复杂度 |
147 |
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 |
0 |
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) |
2.5 |
互变异构体数量 |
2 |
表面电荷 |
0 |
拓扑分子极性表面积 |
28.7 |
海关数据
海关编码 |
2933990090 |
海关数据 |
中国海关编码:
2933990090
概述:
2933990090. 其他仅含氮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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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