Cas no 62591-44-0 (Propanimidic acid, 3-hydroxy-, propyl ester)
62591-44-0 structure
Product Name:Propanimidic acid, 3-hydroxy-, propyl ester
CAS No:62591-44-0
MF:C6H13NO2
MW:131.172921895981
CID:438927
PubChem ID:71384897
Update Time:2025-04-19
Propanimidic acid, 3-hydroxy-, propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanimidic acid, 3-hydroxy-, propyl ester
- propyl 3-hydroxypropanimidate
- 62591-44-0
- DTXSID90807146
-
- Inchi： 1S/C6H13NO2/c1-2-5-9-6(7)3-4-8/h7-8H,2-5H2,1H3
- InChI Key： NHSFQJWAPSSJQU-UHFFFAOYSA-N
- SMILES： O(C(CCO)=N)CCC
Computed Properties
- Exact Mass: 131.09469
- Monoisotopic Mass: 131.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 5
- Complexity: 83.1
- 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
- XLogP3: 0.3
- Topological Polar Surface Area: 53.3?2
Experimental Properties
- PSA: 53.31
Propanimidic acid, 3-hydroxy-, propyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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