1-Pyrenamine, N-methyl- | 22965-22-6
英文名称:
1-Pyrenamine, N-methyl-
CAS No.:
22965-22-6
分子式:
C1 7 H1 3 N
分子量:
231.29182
名称和标识符
InChIKey
UCISVZJFGFQPKN-UHFFFAOYSA-N
Inchi
InChI=1S/C17H13N/c1-18-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10,18H,1H3
SMILES
CNC1C2C3=C4C(=CC=2)C=CC=C4C=CC3=CC=1
别名信息
- 英文别名 -
1-Pyrenamine, N-methyl-
N-methylpyren-1-amine
1-methylaminopyrene
N-Methyl-1-pyrenamine
DTXSID10177515
DTXSID10177515
22965-22-6
22965-22-6
SCHEMBL2317725
SCHEMBL2317725
物化性质
实验特性
PSA
12.03
折射率
1.864
沸点
431°Cat760mmHg
闪点
236.2°C
密度
1.274
计算特性
精确分子量
231.10489
氢键供体数量
1
氢键受体数量
1
可旋转化学键数量
1
同位素质量
231.105
重原子数量
18
复杂度
313
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)
5
拓扑分子极性表面积
12Ų
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