2763-67-9 ((Pentanamide, N-butyl-)

快速询单

结构式：

Pentanamide, N-butyl-MOL文件

CAS号：

2763-67-9

英文名称：

Pentanamide, N-butyl-

分子式：

C₉H₁₉NO

分子量：

157.253262758255

Pentanamide, N-butyl-(2763-67-9)名称与标识符

名称

英文别名：

Pentanamide, N-butyl-;n-Butylpentanamide;2763-67-9;Pentanamide, N-butyl;CS-0261161;EN300-7737534;DTXSID40182011;PKOPLDUHARSIKV-UHFFFAOYSA-N;AKOS003846076;SCHEMBL726152;

标识符

InChIKey：

PKOPLDUHARSIKV-UHFFFAOYSA-N

Inchi：

1S/C9H19NO/c1-3-5-7-9(11)10-8-6-4-2/h3-8H2,1-2H3,(H,10,11)

SMILES：

O=C(CCCC)NCCCC

Pentanamide, N-butyl-(2763-67-9)物化性质

实验特性

PSA : 29.1

计算特性

精确分子量 : 157.14677
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 6
同位素质量 : 157.146664230g/mol
重原子数量 : 11
复杂度 : 102
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） : 2.2
拓扑分子极性表面积 : 29.1Å²

Pentanamide, N-butyl-(2763-67-9)相关文献

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2. Oxidation of amine α-carbon to amide: a review on direct methods to access the amide functionality
P. Nagaraaj,V. Vijayakumar Org. Chem. Front. 2019 6 2570
3. Nitrosamines from tertiary amines and dinitrogen tetraoxide
Joseph H. Boyer,T. Perumal Pillai J. Chem. Soc. Perkin Trans. 1 1985 1661
4. 140. Amine oxidation. Part VIII. The reaction of tri-n-butylamine with ozone
H. B. Henbest,M. J. W. Stratford J. Chem. Soc. 1964 711
5. Electrocatalytic H2 production with a turnover frequency >107 s?1: the medium provides an increase in rate but not overpotential
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6. Influence of structure on exchange strength and relaxation barrier in a series of FeIIReIV(CN)2 single-chain magnets
Xiaowen Feng,T. David Harris,Jeffrey R. Long Chem. Sci. 2011 2 1688
7. Photocatalytic N-formylation of amines via a reductive quenching cycle in the presence of air
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8. Preparation of N-(alk-1-enyl) nucleobase compounds by Horner and Horner–Wadsworth–Emmons reactions
Thomas Boesen,Christian Madsen,Ulla Henriksen,Otto Dahl J. Chem. Soc. Perkin Trans. 1 2000 2015
9. 8-Aza-2′-deoxyguanosine: Base pairing, mismatch discrimination and nucleobase anion fluorescence sensing in single-stranded and duplex DNA
Frank Seela,Dawei Jiang,Kuiying Xu Org. Biomol. Chem. 2009 7 3463
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