Cas no 62316-87-4 (1-Hexanamine, N-methyl-, 4-methylbenzenesulfonate)
62316-87-4 structure
Product Name:1-Hexanamine, N-methyl-, 4-methylbenzenesulfonate
CAS No:62316-87-4
MF:C14H25NO3S
MW:287.418203115463
CID:449488
PubChem ID:71387581
Update Time:2025-04-19
1-Hexanamine, N-methyl-, 4-methylbenzenesulfonate Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexanamine, N-methyl-, 4-methylbenzenesulfonate
- 4-methylbenzenesulfonic acid,N-methylhexan-1-amine
- DTXSID40809695
- 4-Methylbenzene-1-sulfonic acid--N-methylhexan-1-amine (1/1)
- 62316-87-4
-
- Inchi： 1S/C7H17N.C7H8O3S/c1-3-4-5-6-7-8-2;1-6-2-4-7(5-3-6)11(8,9)10/h8H,3-7H2,1-2H3;2-5H,1H3,(H,8,9,10)
- InChI Key： IGIUJFJCZOVYIN-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(=O)(=O)O.N(C)CCCCCC
Computed Properties
- Exact Mass: 287.15565
- Monoisotopic Mass: 287.15551483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 242
- 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: 74.8?2
Experimental Properties
- PSA: 66.4
1-Hexanamine, N-methyl-, 4-methylbenzenesulfonate 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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
62316-87-4 (1-Hexanamine, N-methyl-, 4-methylbenzenesulfonate) Related Products
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