N-甲基-4-溴苯胺 | 6911-87-1
中文名称:
N-甲基-4-溴苯胺
英文名称:
4-Bromo-N-methylaniline
CAS No.:
6911-87-1
分子式:
C7 H8 BrN
分子量:
186.0491
名称和标识符
MDL
MFCD03030391
InChIKey
AYVPVDWQZAAZCM-UHFFFAOYSA-N
Inchi
1S/C7H8BrN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
SMILES
BrC1C([H])=C([H])C(=C([H])C=1[H])N([H])C([H])([H])[H]
别名信息
- 中文别名 -
4-溴-N-甲基苯胺
4-溴-N-甲苯胺
N-甲基-4-溴苯胺
- 英文别名 -
4-Bromo-N-methylaniline
(4-Bromophenyl)methylamine
4-bromo-N-methylbenzenamine
Benzenamine,4-bromo-N-methyl-
p-Bromo-N-methylaniline
1-Bromo-4-(methylamino)benzene
N-(4-Bromophenyl)-N-methylamine
Benzenamine, 4-bromo-N-methyl-
N-methyl-4-bromoaniline
4bromo-n-methylaniline
N-methyl-4-bromo-aniline
4-bromo-N-methyl-aniline
4-bromanyl-N-methyl-aniline
(4-bromo-phenyl)-methyl-amine
AYVPVDWQZAAZCM-UHFFFAOYSA-N
AK110630
CJ-
FT-0636286
4-Bromo-N-methylbenzenamine
A836358
B4403
DTXSID00219170
N-(4-bromophenyl)-N-methylamine
AKOS000253996
6911-87-1
Benzenamine, 4-bromo-N-methyl-, radical ion(1+) (9CI)
SCHEMBL467157
p-Brom-N-methylanilin
EN300-213442
AMY4084
211060-12-7
NS00101045
CS-0038061
MFCD03030391
SY050556
FS-4613
4-Bromo-N-methylaniline, 97%
物化性质
实验特性
LogP
2.56380
PSA
12.03000
折射率
n20/D 1.613(lit.)
沸点
260°C(lit.)
熔点
11°C(lit.)
闪点
华氏:>230 °F 摄氏:>110 °C
溶解度
微溶 (1.7 g/L) (25 ºC),
颜色与性状
无色或深紫色或棕色液体
溶解性
未确定
密度
1.482 g/mL at 25 °C(lit.)
计算特性
精确分子量
184.98400
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
184.984
重原子数量
9
复杂度
77
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)
2.9
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
12
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