Cas no 61546-12-1 (Benzoic acid, 3,5-diamino-4-(dimethylamino)-, methyl ester)
61546-12-1 structure
Product Name:Benzoic acid, 3,5-diamino-4-(dimethylamino)-, methyl ester
CAS No:61546-12-1
MF:C10H15N3O2
MW:209.245002031326
CID:475404
PubChem ID:20290390
Update Time:2025-04-19
Benzoic acid, 3,5-diamino-4-(dimethylamino)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3,5-diamino-4-(dimethylamino)-, methyl ester
- methyl 3,5-diamino-4-(dimethylamino)benzoate
- SCHEMBL11352076
- 61546-12-1
- DTXSID20604701
-
- Inchi： 1S/C10H15N3O2/c1-13(2)9-7(11)4-6(5-8(9)12)10(14)15-3/h4-5H,11-12H2,1-3H3
- InChI Key： YLBOVRLASJERMP-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(C(=C(C=1)N)N(C)C)N)=O
Computed Properties
- Exact Mass: 209.11655
- Monoisotopic Mass: 209.116426730g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 221
- 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: 0.5
- Topological Polar Surface Area: 81.6?2
Experimental Properties
- PSA: 81.58
Benzoic acid, 3,5-diamino-4-(dimethylamino)-, methyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
61546-12-1 (Benzoic acid, 3,5-diamino-4-(dimethylamino)-, methyl ester) Related Products
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