4-[(2,4-二氨基-5-甲基苯基)亚氨基]-2,5-环己二烯-1-酮 | 121-23-3
中文名称:
4-[(2,4-二氨基-5-甲基苯基)亚氨基]-2,5-环己二烯-1-酮
英文名称:
4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dienone
CAS No.:
121-23-3
分子式:
C1 3 H1 3 N3 O
分子量:
227.26182
名称和标识符
InChIKey
HAXAVAPYQCRUSA-UHFFFAOYSA-N
Inchi
InChI=1S/C13H13N3O/c1-8-6-13(12(15)7-11(8)14)16-9-2-4-10(17)5-3-9/h2-7H,14-15H2,1H3
SMILES
NC1C=C(N)C(C)=CC=1/N=C1\C=CC(=O)C=C\1
别名信息
- 中文别名 -
4-[(2,4-二氨基-5-甲基苯基)亚氨基]-2,5-环己二烯-1-酮
- 英文别名 -
4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dienone
2,5-Cyclohexadien-1-one,4-[(2,4-diamino-5-methylphenyl)imino]-
4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-one
N-(2,4-DIAMINO-5-METHYLPHENYL)-P-BENZOQUINONEIMINE
[1,4]Benzochinon-mono-(2,4-diamino-5-methyl-phenylimin)
[1,4]benzoquinone-mono-(2,4-diamino-5-methyl-phenylimine)
2,5-Cyclohexadien-1-one,4-[(4,6-diamino-m-tolyl)imino]
2'-Amino-5'-methylindoaniline
4-[(2,4-diamino-5-methylphenyl)imino]cyclohexa-2,5-dien-1-one
5-Amino-2-methyl-benzochinon-(1.4)-imid-(1)-(4-oxy-anil)-(4)
EINECS 204-457-9
N-(2,4-diamino-5-methylphenyl)quinone imine
4-[(2,4-Diamino-6-methylphenyl)imino]-2,5-cyclohexadien-1-one
4-[(2,4-Diamino-5-methylphenyl)imino]-2,5-cyclohexadien-1-one
2, 4-[(2,4-diamino-5-methylphenyl)imino]-
121-23-3
4-(2,4-diamino-5-methylphenylimino)cyclohexa-2,5-dienone
SCHEMBL11794810
DTXSID30153098
2,5-Cyclohexadien-1-one, 4-[(2,4-diamino-5-methylphenyl)imino]-
UNII-T95E73ZC4A
NS00023955
p-Benzoquinone imine,6-diamino-m-tolyl)-
N-(4,6-Diamino-m-tolyl)quinonimine
NSC92803
2, 4-[(4,6-diamino-m-tolyl)imino]-
4-((2,4-Diamino-5-methylphenyl)imino)cyclohexa-2,5-dien-1-one
T95E73ZC4A
T95E73ZC4A
T95E73ZC4A
NSC-92803
NSC-92803
NSC-92803
NSC 92803
NSC 92803
NSC 92803
物化性质
实验特性
LogP
3.08940
PSA
81.47000
计算特性
精确分子量
227.10600
氢键供体数量
2
氢键受体数量
4
可旋转化学键数量
1
同位素质量
227.105862047g/mol
重原子数量
17
复杂度
380
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)
0.9
互变异构体数量
15
表面电荷
0
拓扑分子极性表面积
81.5Ų
海关数据
海关编码
2925290090
海关数据
中国海关编码:
2925290090
概述:
2925290090 其他亚胺及其衍生物,以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%
申报要素:
品名, 成分含量, 用途
Summary:
2925290090 other imines and their derivatives; salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
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