Cas no 140898-92-6 ( )
structure
Product Name:
CAS No:140898-92-6
MF:C12H24ClNO3
MW:265.776863098145
CID:903264
PubChem ID:18386170
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- heptyl 5-amino-4-oxopentanoate,hydrochloride
- HEPTYL 5-AMINOLEVULINATE HYDROCHLORIDE
- Pentanoic acid, 5-amino-4-oxo-, heptyl ester, hydrochloride
- DTXSID30593334
- heptyl 5-amino-4-oxopentanoate;hydrochloride
- SCHEMBL1613827
- 140898-92-6
- Heptyl 5-amino-4-oxopentanoate--hydrogen chloride (1/1)
-
-
- Inchi： 1S/C12H23NO3.ClH/c1-2-3-4-5-6-9-16-12(15)8-7-11(14)10-13;/h2-10,13H2,1H3;1H
- InChI Key： FLWXZETXCKMYJP-UHFFFAOYSA-N
- SMILES： Cl.O(C(CCC(CN)=O)=O)CCCCCCC
Computed Properties
- Exact Mass: 265.14462
- Monoisotopic Mass: 265.1444713g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 11
- Complexity: 204
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.4?2
Experimental Properties
- PSA: 69.39
Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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