Cas no 113712-94-0 (Benzenesulfonamide,4-amino-N-(aminocarbonyl)-, ammonium salt (1:1))
113712-94-0 structure
Product Name:Benzenesulfonamide,4-amino-N-(aminocarbonyl)-, ammonium salt (1:1)
CAS No:113712-94-0
MF:C7H12N4O3S
MW:232.260179519653
CID:181745
PubChem ID:11972246
Update Time:2025-04-19
Benzenesulfonamide,4-amino-N-(aminocarbonyl)-, ammonium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonamide,4-amino-N-(aminocarbonyl)-, ammonium salt (1:1)
- azanium,N'-(4-aminophenyl)sulfonylcarbamimidate
- 113712-94-0
- Benzenesulfonamide, 4-amino-N-(aminocarbonyl)-, monoammonium salt
- 4-Amino-N-(aminocarbonyl)benzenesulfonamide monoammonium salt
-
- Inchi： 1S/C7H9N3O3S.H3N/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11;/h1-4H,8H2,(H3,9,10,11);1H3
- InChI Key： AACDHAYNKLAVOQ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)N)(/N=C(/N)\[O-])(=O)=O.[NH4+]
Computed Properties
- Exact Mass: 232.06316
- Monoisotopic Mass: 232.063011
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 312
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 131
Experimental Properties
- Boiling Point: 509.9°Cat760mmHg
- Flash Point: 262.2°C
- PSA: 158.1
Benzenesulfonamide,4-amino-N-(aminocarbonyl)-, ammonium salt (1:1) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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