简介名称和标识符别名信息物化性质安全信息国际标准相关数据海关数据相关文献专业数据库参考参考资料相关产品

N-ω-乙酰基组胺 | 673-49-4

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中文名称： N-ω-乙酰基组胺

英文名称： N-Acetylhistamine

CAS No.： 673-49-4

分子式： C₇H₁₁N₃O

分子量： 153.18174

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：N-ω-乙酰基组胺结构式

MSDS： N-ω-乙酰基组胺MSDS

PubChem CID： 24888477

价格行情： N-ω-乙酰基组胺价格

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N-ω-乙酰基组胺的其他展现形式

相关化合物

n-甲基-1H-咪唑-5-乙酰胺

1H-Imidazole-5-acetamide,N-methyl-

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(9ci)-2-氰基-n-[2-(1H-咪唑-4-基)乙基]-乙酰胺

Acetamide, 2-cyano-N-[2-(1H-imidazol-4-yl)ethyl]- (9CI)

CAS No.：502164-38-7
Hexanamide, N-[2-(1H-imidazol-4-yl)ethyl]-

CAS No.：103827-10-7
N-[2-(4-methyl-1H-imidazol-5-yl)ethyl]-Acetamide

CAS No.：89026-17-5
N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-Acetamide

CAS No.：50444-80-9
N-[2-(1H-imidazol-5-yl)ethyl]-2-Propenamide

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简介

N-Acetylhistamine 是一种组胺代谢物。N-acetylhistamine 可用作过敏反应中组氨酸代谢的生物标志物。

名称和标识符

MDL	MFCD00005209
InChIKey	XJWPISBUKWZALE-UHFFFAOYSA-N
Inchi	InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
SMILES	CC(NCCC1=CN=CN1)=O

别名信息

- 中文别名 -

N-ω-乙酰基组胺
Nω-乙酰基组胺

- 英文别名 -

Acetamide,N-[2-(1H-imidazol-5-yl)ethyl]-
N-(2-(1H-imidazol-4-yl)ethyl)acetamide
N-[2-(1H-imidazol-5-yl)ethyl]acetamide
n-Omega-Acetylhistamine
N-W-ACETYLHISTAMINE

Nω-Acetylhistamine
4-(2-acetamidoethyl)imidazole
Acetylhistamine
N-[2-(1H-Imidazol-4-yl)ethyl]acetamide
N'-Acetylhistamine
Nomega-Acetylhistamine
Nw-acetyl-histamine
N-Acetylhistamine
N-Omega-acetylhistamine
FT-0693681
673-49-4
BDBM7949
CHEMBL1230893
Z1203246098
2afw
Acetamide, N-[2-(1H-imidazol-4-yl)ethyl]-
EINECS 211-610-3
MLS001074877
NCGC00247012-01
AHN
n-[2-(3h-imidazol-4-yl)-ethyl]-acetamide
N omega -Acetylhistamine
XJWPISBUKWZALE-UHFFFAOYSA-N
Acetamide, N-(2-(1H-imidazol-4-yl)ethyl)- (9CI)
Acetamide, N-(2-imidazol-4-ylethyl)- (8CI)
N.omega.-Acetylhistamine
3H-Indolium pound not1-Ethyl-3,3- Dimethyl-2-[2-(phenylamino)ethenyl]-5-Sulfo pound notinner salt.
alpha-N-acetylhistamine
N-w-acetylhistamine (AH)
N-(2-(1H-Imidazol-4-yl)ethyl)acetamide
Acetamide, N-(2-(1H-imidazol-4-yl)ethyl)-
NSC-66356
NSC 66356
3pb8
N-[2-(1H-Imidazol-4-yl)ethyl]-Acetamide
N-[2-(1H-Imidazol-4-yl)ethyl]acetamide #
C05135
N-.omega.-Acetylhistamine
DTXSID40217670
AKOS002808012
AKOS015902389
Acetamide, N-(2-imidazol-4-ylethyl)-
2DB4E262-522E-4D06-80BE-314E0B8161C5
CS-0043607
NS00014790
HY-112175
SR-01000644822-1
N-(2-(1H-imidazol-4-yl)ethyl)acetamide (ACD/Name 4.0)
Histamine, N-omega-acetyl-
N-[2-(3H-imidazol-4-yl)ethyl]acetamide
4-(2-acetylaminoethyl)imidazole
Imidazole C-4(5) deriv. 1
Nomega-Acetylhistamine, 98%
N-(2-Imidazol-4-ylethyl)-Acetamide
Nalpha-acetylhistamine
CHEBI:28483
ACETAMIDE, N-(2-IMIDAZOL-4(OR 5)-YLETHYL)-
Acetamide, N-[2-(1H-imidazol-5-yl)ethyl]-
Q27095359
N-(2-(1H-IMIDAZOL-5-YL)ETHYL)ACETAMIDE
N-omega-Acetylhistamine
HMS2269C24
N-(2-(Imidazol-4-yl)ethyl)acetamide
Acetamide, {N-[2-(1H-imidazol-4-yl)ethyl]-}
4-(beta-Acetylaminoethyl)imidazole
SCHEMBL514228
SCHEMBL12999042
CCG-55819
E65S46EBQ6
DB04622
UNII-E65S46EBQ6
Acetylhistamine, N-
NSC66356
ACETAMIDE, N-(2-(1H-IMIDAZOL-5-YL)ETHYL)-
omega-N-acetylhistamine
SMR000112242
N-Omega-acetyl-Histamine

物化性质

实验特性

LogP	0.47920
PSA	57.78000
折射率	1.5860 (estimate)
沸点	276.1°C (rough estimate)
熔点	147-149 °C (lit.)
蒸气压	0.0±1.1 mmHg at 25°C
闪点	257.2°C
颜色与性状	白色或浅黄色结晶状粉末
溶解性	未确定
密度	1.1648 (rough estimate)

计算特性

精确分子量	153.09000
氢键供体数量	2
氢键受体数量	4
可旋转化学键数量	4
同位素质量	153.09
重原子数量	11
复杂度	138
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）	无
互变异构体数量	4
表面电荷	0
拓扑分子极性表面积	57.8A^2

安全信息

WGK Germany	3
安全说明	S24/25
危险品运输编号	NONH for all modes of transport
危害声明	H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
警示性声明	P264+P280+P305+P351+P338+P337+P313
储存条件	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
信号词	warning

国际标准相关数据

EINECS	211-610-3

海关数据

海关编码	2933290090
海关数据	中国海关编码： 2933290090 概述： 2933290090. 其他结构含非稠合咪唑环的化合物. 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： 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

海关编码

2933290090

海关数据

中国海关编码：

2933290090

概述：

2933290090. 其他结构含非稠合咪唑环的化合物. 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：

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

相关文献

1. Effects of mixed-ligand complex formation on deprotonation of amide groups in acid amides and peptides
Imre Sóvágó,Béla Harman,Arthur Gergely,Barbara Radomska J. Chem. Soc. Dalton Trans. 1986 235
2. Effects of oral exposure to titanium dioxide nanoparticles on gut microbiota and gut-associated metabolism in vivo
Zhangjian Chen,Shuo Han,Di Zhou,Shupei Zhou,Guang Jia Nanoscale 2019 11 22398
3. Combined algicidal effect of urocanic acid, N-acetylhistamine and l-histidine to harmful alga Phaeocystis globosa
Luer Zhuang,Ling Zhao,Pinghe Yin RSC Adv. 2018 8 12760
4. Thermodynamic and structural characterisation of the complexes formed in the reaction of [Pd(en)(H2O)2]2+ and [Pd(pic)(H2O)2]2+ with N-alkyl nucleobases and N-acetyl amino acids
Zoltán Nagy,Imre Sóvágó J. Chem. Soc. Dalton Trans. 2001 2467
5. Boronate affinity materials for separation and molecular recognition: structure, properties and applications
Daojin Li,Yang Chen,Zhen Liu Chem. Soc. Rev. 2015 44 8097
6. Polydopamine assisted functionalization of boronic acid on magnetic nanoparticles for the selective extraction of ribosylated metabolites from urine
Abrar Mohyuddin,Dilshad Hussain,Muhammad Najam-ul-Haq RSC Adv. 2017 7 9476
7. Spectroscopic and potentiometric studies on the interaction of trans-[(MeH2N)2Pt(mcyt)2PdCl]NO3(mcyt = 1-methylcytosinate) with derivatives of amino acids
Imre Sóvágó,Attila Kiss,Bernhard Lippert J. Chem. Soc. Dalton Trans. 1995 489
8. The synthesis of N π-alkylhistamines
John C. Emmett,Frederick H. Holloway,John L. Turner π-alkylhistamines. John C. Emmett Frederick H. Holloway John L. Turner J. Chem. Soc. Perkin Trans. 1 1979 1341
9. Transition-metal complexes of carcinine, a peptide-type derivative of histamine
Tamas Gajda,Bernard Henry,Jean-Jacques Delpuech J. Chem. Soc. Dalton Trans. 1992 2313
10. Transition-metal complexes of carcinine, a peptide-type derivative of histamine
Tamas Gajda,Bernard Henry,Jean-Jacques Delpuech J. Chem. Soc. Dalton Trans. 1992 2313

专业数据库参考

PubChemId	24888477

参考资料

Reaxys RN

N-ω-乙酰基组胺 | 673-49-4

中国海关编码：

概述：

申报要素：

Summary：

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