Cas no 64621-83-6 (Benzamide, 3,5-diamino-N-methyl-)
64621-83-6 structure
Product Name:Benzamide, 3,5-diamino-N-methyl-
CAS No:64621-83-6
MF:C8H11N3O
MW:165.192441225052
CID:420947
PubChem ID:20553370
Update Time:2025-04-19
Benzamide, 3,5-diamino-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, 3,5-diamino-N-methyl-
- 3,5-diamino-N-methylbenzamide
- 64621-83-6
- DTXSID10608617
- SCHEMBL19039709
-
- Inchi: 1S/C8H11N3O/c1-11-8(12)5-2-6(9)4-7(10)3-5/h2-4H,9-10H2,1H3,(H,11,12)
- InChI Key: NNTKCVAKJIOXQL-UHFFFAOYSA-N
- SMILES: O=C(C1C=C(C=C(C=1)N)N)NC
Computed Properties
- Exact Mass: 165.09033
- Monoisotopic Mass: 165.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 162
- 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: -0.2
- Topological Polar Surface Area: 81.1?2
Experimental Properties
- PSA: 81.14
Benzamide, 3,5-diamino-N-methyl- Related Literature
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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