反式-2,5-二甲基哌嗪 | 2815-34-1
中文名称:
反式-2,5-二甲基哌嗪
英文名称:
trans-2,5-Dimethylpiperazine
CAS No.:
2815-34-1
分子式:
C6 H1 4 N2
分子量:
114.1888
名称和标识符
MDL
MFCD00070516
InChIKey
NSMWYRLQHIXVAP-OLQVQODUSA-N
Inchi
1S/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3/t5-,6+
SMILES
N1([H])C([H])([H])[C@@]([H])(C([H])([H])[H])N([H])C([H])([H])[C@]1([H])C([H])([H])[H]
BRN
79886
别名信息
- 中文别名 -
反式-2,5-二甲基哌嗪
反-2,5-二甲基哌嗪
trans-2,5-Dimethylpiperazine 反-2,5-二甲基哌嗪
trans-2,5-二甲基哌嗪
反式2,5-二甲基哌嗪
反式二甲基哌嗪
反-2,5-二甲基六氢吡嗪
反式-2,3-二甲基哌嗪
- 英文别名 -
trans-2,5-Dimethylpiperazine
2,5-Dimethylpiperazine
(2R,5S)-2,5-dimethylpiperazine
(2r,5s)-2,5-dimethylpiperazin
(2S,5R)-2,5-DIMETHYL-PIPERAZINE
(RS)-trans-2,5-dimethylpiperazine
2,5-dimethyl-piperazine
(2S,5R)-2,5-Dimethylpiperazine
R1QQJ26FS6
Piperazine, 2,5-dimethyl-, (2R,5S)-rel-
NSMWYRLQHIXVAP-OLQVQODUSA-N
2,5-Dimethylpiperazine (trans)
NSC3708
Piperazine, 2,5-dimethyl-, trans-
(2R,5S)-2,5-DIMETHYL-PIPERAZINE
PubChem15878
2,5-Dimethylpiperazine #
trans-2,5 dimethylpiperazine
trans-2,5-dimethyl piperazine
trans-2,5-Dimethyl-piperazine
(trans)-2,5-dimethylpiperazine
1119702-25-8
J-001612
J-016991
2,5-Dimethylpiperazine, meso-
CS-B1271
REL-(2R,5S)-2,5-DIMETHYLPIPERAZINE
AM20090356
(2S, 5R)-2,5-dimethylpiperazine
BP-11311
CX1379
SCHEMBL101769
(+/-)-trans-2,5-dimethylpiperazine
InChI=1/C6H14N2/c1-5-3-8-6(2)4-7-5/h5-8H,3-4H2,1-2H3/t5-,6
EN300-86239
AC-371
AS-11849
trans-2,5-Dimethylpiperazine, 98%
MFCD00070516
DTXSID90878851
2,5-DIMETHYLPIPERAZINE, TRANS-
2815-34-1
UNII-R1QQJ26FS6
NSC 3708
D0763
Piperazine,5-dimethyl-, trans-
MESO-2,5-DIMETHYLPIPERAZINE
NSC-3708
A819349
AKOS006349671
F12545
物化性质
实验特性
LogP
0.61380
PSA
24.06000
折射率
1.4628 (estimate)
水溶性
50 g/100 mL (20 ºC)
沸点
162-165 °C(lit.)
熔点
116.0 to 120.0 deg-C
闪点
华氏:100.4 °F 摄氏:38 °C
溶解度
50 g/100 mL (20°C)
颜色与性状
Pale-yellow to Yellow-brown Solid
溶解性
溶于水
酸度系数(pKa)
9.66(at 25℃)
密度
0.53
计算特性
精确分子量
114.11600
氢键供体数量
2
氢键受体数量
2
可旋转化学键数量
0
同位素质量
114.116
重原子数量
8
复杂度
62.9
同位素原子数量
0
确定原子立构中心数量
2
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
互变异构体数量
无
表面电荷
0
拓扑分子极性表面积
24.1
海关数据
海关编码
2933599090
海关数据
中国海关编码:
2933599090
概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
相关文献
1.
Templating effect of trans-2,5-dimethylpiperazine (TDMP) on the structural dimensionality of hybrid metal halides
Romain Gautier,Michael Paris,Florian Massuyeau Dalton Trans. 2022 51 10758
2.
Broadband white-light emission from supramolecular piperazinium-based lead halide perovskites linked by hydrogen bonds
Mi-Hee Jung,Kyoung Chul Ko,Woo Ram Lee Dalton Trans. 2019 48 15074
3.
LXIV.—The resolution of dl-alanine and the formation of trans-2 : 5-dimethylpiperazine
Frederic Barry Kipping,William Jackson Pope J. Chem. Soc. 1926 129 494
4.
Role of specific distorted metal complexes in exciton self-trapping for hybrid metal halides
Romain Gautier,Rodolphe Clérac,Michael Paris,Florian Massuyeau Chem. Commun. 2020 56 10139
5.
Catalytic and stoichiometric approaches to the desymmetrisation of centrosymmetric piperazines by enantioselective acylation: a total synthesis of Dragmacidin A
Mark Anstiss,Adam Nelson Org. Biomol. Chem. 2006 4 4135
6.
The effects of protonated heterocyclic cations on the structural and magnetic properties of tetrachlorocuprate(ii) anions; X-ray, magnetochemical and EPR studies
ülo Kersen,Andrzej Wojtczak,Alina Bienko,Julia Jezierska New J. Chem. 2018 42 15705
7.
An efficient, asymmetric organocatalyst-mediated conjugate addition of nitroalkanes to unsaturated cyclic and acyclic ketones
Claire E. T. Mitchell,Stacey E. Brenner,Jorge García-Fortanet,Steven V. Ley Org. Biomol. Chem. 2006 4 2039
8.
Catalysts’ evolution in the asymmetric conjugate addition of nitroalkanes to electron-poor alkenes
Roberto Ballini,Alessandro Palmieri,Marino Petrini Org. Chem. Front. 2022 9 6077
9.
Biobased polyesters and other polymers from 2,5-furandicarboxylic acid: a tribute to furan excellency
Andreia F. Sousa,Carla Vilela,Ana C. Fonseca,Marina Matos,Carmen S. R. Freire,Gert-Jan M. Gruter,Jorge F. J. Coelho,Armando J. D. Silvestre Polym. Chem. 2015 6 5961
10.
Low-loading asymmetric organocatalysis
Francesco Giacalone,Michelangelo Gruttadauria,Paola Agrigento,Renato Noto Chem. Soc. Rev. 2012 41 2406
参考资料
Reaxys RN
79886
Beilstein
23,19
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