Cas no 757902-26-4 (2-Naphthalenecarboximidamide,N,6,7-trihydroxy-)
757902-26-4 structure
Product Name:2-Naphthalenecarboximidamide,N,6,7-trihydroxy-
CAS No:757902-26-4
MF:C11H10N2O3
MW:218.20870256424
CID:549402
PubChem ID:136092603
Update Time:2025-04-19
2-Naphthalenecarboximidamide,N,6,7-trihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Naphthalenecarboximidamide,N,6,7-trihydroxy-
- 2-Naphthalenecarboximidamide, N,6,7-trihydroxy- (9CI)
- N,6,7-TRIHYDROXYNAPHTHALENE-2-CARBOXIMIDAMIDE
- N,6,7-trihydroxy-2-naphthimidamide
- 757902-26-4
-
- Inchi： 1S/C11H10N2O3/c12-11(13-16)7-2-1-6-4-9(14)10(15)5-8(6)3-7/h1-5,14-16H,(H2,12,13)
- InChI Key： FEBNSQJKMXTLJU-UHFFFAOYSA-N
- SMILES： OC1C(=CC2=CC=C(C(=NO)N)C=C2C=1)O
Computed Properties
- Exact Mass: 218.06900
- Monoisotopic Mass: 218.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 507
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 95.6A^2
- XLogP3: 1.8
Experimental Properties
- PSA: 99.07000
- LogP: 2.04580
2-Naphthalenecarboximidamide,N,6,7-trihydroxy- Related Literature
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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