Cas no 114191-64-9 (Benzamide,N-(4-aminobutyl)-2,3-dihydroxy-)
114191-64-9 structure
Product Name:Benzamide,N-(4-aminobutyl)-2,3-dihydroxy-
CAS No:114191-64-9
MF:C11H16N2O3
MW:224.256342887878
CID:222195
PubChem ID:85550078
Update Time:2025-04-19
Benzamide,N-(4-aminobutyl)-2,3-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,N-(4-aminobutyl)-2,3-dihydroxy-
- Aminochelin
- N-(4-AMINOBUTYL)-2,3-DIHYDROXYBENZAMIDE
- Benzamide, N-(4-aminobutyl)-2,3-dihydroxy-
- 114191-64-9
- 2,3-dihydroxybenzoylputrescine
- CHEBI:221327
- SCHEMBL18285172
-
- Inchi: 1S/C11H16N2O3/c12-6-1-2-7-13-11(16)8-4-3-5-9(14)10(8)15/h3-5,14-15H,1-2,6-7,12H2,(H,13,16)
- InChI Key: FZYQWMMQZJYKMY-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=C(C=1O)O)NCCCCN
Computed Properties
- Exact Mass: 224.11618
- Monoisotopic Mass: 224.11609238g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 223
- 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: 0.7
- Topological Polar Surface Area: 95.6?2
Experimental Properties
- PSA: 95.58
Benzamide,N-(4-aminobutyl)-2,3-dihydroxy- Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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