Cas no 97465-55-9 (Guanidine,N,N'-bis(dimethylphenyl)-, monohydrochloride (9CI))
97465-55-9 structure
Product Name:Guanidine,N,N'-bis(dimethylphenyl)-, monohydrochloride (9CI)
CAS No:97465-55-9
MF:C17H22ClN3
MW:303.829682826996
CID:806505
PubChem ID:3024901
Update Time:2025-04-19
Guanidine,N,N'-bis(dimethylphenyl)-, monohydrochloride (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Guanidine,N,N'-bis(dimethylphenyl)-, monohydrochloride (9CI)
- 1,2-bis(2,3-dimethylphenyl)guanidine,hydrochloride
- N,N'-bis(dimethylphenyl)guanidine monohydrochloride
- DTXSID00242988
- NS00092941
- 97465-55-9
- EINECS 306-910-7
-
- Inchi: 1S/C17H21N3.ClH/c1-11-7-5-9-15(13(11)3)19-17(18)20-16-10-6-8-12(2)14(16)4;/h5-10H,1-4H3,(H3,18,19,20);1H
- InChI Key: RYQYLNYFIABLGA-UHFFFAOYSA-N
- SMILES: Cl.N(/C(/N)=N/C1=CC=CC(C)=C1C)C1C=CC=C(C)C=1C
Computed Properties
- Exact Mass: 303.1502254g/mol
- Monoisotopic Mass: 303.1502254g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 339
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 50.4?2
Guanidine,N,N'-bis(dimethylphenyl)-, monohydrochloride (9CI) Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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