Cas no 16318-87-9 (1-Butanesulfonic acid,4-[(4-amino-3-methylphenyl)butylamino]-)
![1-Butanesulfonic acid,4-[(4-amino-3-methylphenyl)butylamino]- structure](https://ossimg.kuujia.com/scimg/16500/16318-87-9x500.png)
16318-87-9 structure
Product Name:1-Butanesulfonic acid,4-[(4-amino-3-methylphenyl)butylamino]-
CAS No:16318-87-9
MF:C15H26N2O3S
MW:314.443542957306
CID:164225
PubChem ID:85365
Update Time:2025-04-19
1-Butanesulfonic acid,4-[(4-amino-3-methylphenyl)butylamino]- Chemical and Physical Properties
Names and Identifiers
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- 1-Butanesulfonic acid,4-[(4-amino-3-methylphenyl)butylamino]-
- 4-[(4-amino-m-tolyl)butylamino]butane-1-sulphonic acid
- 4-((4-Amino-m-tolyl)butylamino)butane-1-sulphonic acid
- 4-[(4-amino-3-methylphenyl)(butyl)amino]butane-1-sulfonic acid
- EINECS 240-395-9
- SCHEMBL11081053
- 16318-87-9
- NS00053617
- 4-(4-amino-N-butyl-3-methylanilino)butane-1-sulfonic acid
- 4-[(4-Amino-m-tolyl)butylamino]butane-1-sulfonic acid
- DTXSID20936796
-
- Inchi： 1S/C15H26N2O3S/c1-3-4-9-17(10-5-6-11-21(18,19)20)14-7-8-15(16)13(2)12-14/h7-8,12H,3-6,9-11,16H2,1-2H3,(H,18,19,20)
- InChI Key： QTAOWEXRKVVCES-UHFFFAOYSA-N
- SMILES： S(CCCCN(C1C=CC(=C(C)C=1)N)CCCC)(=O)(=O)O
Computed Properties
- Exact Mass: 314.16658
- Monoisotopic Mass: 314.166
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 9
- Complexity: 381
- 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
- Topological Polar Surface Area: 92A^2
- XLogP3: 2.6
Experimental Properties
- Density: 1.193
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.568
- PSA: 83.63
1-Butanesulfonic acid,4-[(4-amino-3-methylphenyl)butylamino]- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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