Cas no 131612-27-6 (Iron,tris(4-amino-N-hydroxybenzamidato-O,O')- (9CI))
131612-27-6 structure
Product Name:Iron,tris(4-amino-N-hydroxybenzamidato-O,O')- (9CI)
CAS No:131612-27-6
MF:C21H21FeN6O6
MW:509.273045301437
CID:232137
PubChem ID:195683
Update Time:2025-04-19
Iron,tris(4-amino-N-hydroxybenzamidato-O,O')- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Iron,tris(4-amino-N-hydroxybenzamidato-O,O')- (9CI)
- 4-amino-N-oxidobenzamide,iron(3+)
- iron(3+)-4-aminobenzohydroxamic acid complex
- Fe(3+)-Abha
- iron(3+) tris{[(4-aminobenzoyl)amino]oxidanide}
- 131612-27-6
- 4-amino-N-oxidobenzamide;iron(3+)
- DTXSID00157144
-
- Inchi： 1S/3C7H7N2O2.Fe/c3*8-6-3-1-5(2-4-6)7(10)9-11;/h3*1-4H,(H3-,8,9,10,11);/q3*-1;+3
- InChI Key： FEYJWNLLZVCLCI-UHFFFAOYSA-N
- SMILES： [Fe+3].O=C(C1C=CC(=CC=1)N)N[O-].O=C(C1C=CC(=CC=1)N)N[O-].O=C(C1C=CC(=CC=1)N)N[O-]
Computed Properties
- Exact Mass: 507.09203
- Monoisotopic Mass: 509.087193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 34
- Rotatable Bond Count: 3
- Complexity: 141
- Covalently-Bonded Unit Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 235?2
Experimental Properties
- PSA: 234.54
Iron,tris(4-amino-N-hydroxybenzamidato-O,O')- (9CI) Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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