Cas no 6948-85-2 ( )
structure
Product Name:
CAS No:6948-85-2
MF:C14H21NO4S
MW:299.385843038559
CID:973781
PubChem ID:227301
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-(heptylsulfonylamino)benzoic acid
- 4-(Heptan-1-sulfonylamino)-benzoesaeure
- 4-(heptane-1-sulfonylamino)-benzoic acid
- 4-[(heptylsulfonyl)amino]benzoic acid
- AC1L5FE8
- AC1Q6VU8
- AG-J-55146
- AR-1F9407
- CTK5D0135
- NSC18784
- NSC-18784
- 6948-85-2
- DTXSID30280818
-
-
- Inchi： 1S/C14H21NO4S/c1-2-3-4-5-6-11-20(18,19)15-13-9-7-12(8-10-13)14(16)17/h7-10,15H,2-6,11H2,1H3,(H,16,17)
- InChI Key： DMIYEZSENOLXIP-UHFFFAOYSA-N
- SMILES： S(CCCCCCC)(NC1C=CC(C(=O)O)=CC=1)(=O)=O
Computed Properties
- Exact Mass: 299.11923
- Monoisotopic Mass: 299.119
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- 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
- XLogP3: 3.3
- Topological Polar Surface Area: 91.8?2
Experimental Properties
- Density: 1.239
- Boiling Point: 462°C at 760 mmHg
- Flash Point: 233.2°C
- Refractive Index: 1.558
- PSA: 83.47
- LogP: 4.25070
Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
6948-85-2 ( ) Related Products
- 116855-56-2(4-(Ethylsulfonyl)aminobenzoic Acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
