Cas no 158629-49-3 (Butanal,4-[(2-oxopropyl)amino]-)
![Butanal,4-[(2-oxopropyl)amino]- structure](https://ossimg.kuujia.com/scimg/159000/158629-49-3x500.png)
158629-49-3 structure
Product Name:Butanal,4-[(2-oxopropyl)amino]-
CAS No:158629-49-3
MF:C7H13NO2
MW:143.183622121811
CID:108950
PubChem ID:45085699
Update Time:2025-04-18
Butanal,4-[(2-oxopropyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Butanal,4-[(2-oxopropyl)amino]-
- Butanal, 4-[(2-oxopropyl)amino]- (9CI)
- 4-(2-oxopropyl)aminobutanal
- 158629-49-3
- Butanal,4-[(2-oxopropyl)amino]-(9ci)
-
- Inchi： 1S/C7H13NO2/c1-7(10)6-8-4-2-3-5-9/h5,8H,2-4,6H2,1H3
- InChI Key： QKHGJSYYKNVKSI-UHFFFAOYSA-N
- SMILES： O=C(C)CNCCCC=O
Computed Properties
- Exact Mass: 143.09469
- Monoisotopic Mass: 143.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 6
- Complexity: 112
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 46.2A^2
- XLogP3: -0.7
Experimental Properties
- PSA: 46.17
Butanal,4-[(2-oxopropyl)amino]- Related Literature
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1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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