Cas no 62397-84-6 (Benzenepentanamine, 5-(4-aminobutoxy)-2-methoxy-4-methyl-)
62397-84-6 structure
Product Name:Benzenepentanamine, 5-(4-aminobutoxy)-2-methoxy-4-methyl-
CAS No:62397-84-6
MF:C17H30N2O2
MW:294.432304859161
CID:446337
PubChem ID:71386813
Update Time:2025-04-19
Benzenepentanamine, 5-(4-aminobutoxy)-2-methoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanamine, 5-(4-aminobutoxy)-2-methoxy-4-methyl-
- 5-[5-(4-aminobutoxy)-2-methoxy-4-methylphenyl]pentan-1-amine
- 62397-84-6
- DTXSID80808965
-
- Inchi： 1S/C17H30N2O2/c1-14-12-17(20-2)15(8-4-3-5-9-18)13-16(14)21-11-7-6-10-19/h12-13H,3-11,18-19H2,1-2H3
- InChI Key： VEIMBPLJLVXKTR-UHFFFAOYSA-N
- SMILES： O(CCCCN)C1=C(C)C=C(C(=C1)CCCCCN)OC
Computed Properties
- Exact Mass: 294.2309
- Monoisotopic Mass: 294.230728204g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 11
- Complexity: 251
- 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: 2.6
- Topological Polar Surface Area: 70.5?2
Experimental Properties
- PSA: 70.5
Benzenepentanamine, 5-(4-aminobutoxy)-2-methoxy-4-methyl- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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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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