Cas no 68864-42-6 (Benzamide, N,N'-1,3-propanediylbis[2-amino-)
68864-42-6 structure
Product Name:Benzamide, N,N'-1,3-propanediylbis[2-amino-
CAS No:68864-42-6
MF:C17H20N4O2
MW:312.366303443909
CID:392506
PubChem ID:2806995
Update Time:2025-04-19
Benzamide, N,N'-1,3-propanediylbis[2-amino- Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-N-[3-[(2-aminobenzoyl)amino]propyl]benzamide
- ST51030143
- DTXSID40384533
- 68864-42-6
- HMS551N03
- CCG-51726
- Maybridge1_003633
- AKOS024382054
- SR-01000641010-1
- N,N'-(Propane-1,3-diyl)bis(2-aminobenzamide)
- SCHEMBL866062
- Benzamide, N,N'-1,3-propanediylbis[2-amino-
-
- Inchi： 1S/C17H20N4O2/c18-14-8-3-1-6-12(14)16(22)20-10-5-11-21-17(23)13-7-2-4-9-15(13)19/h1-4,6-9H,5,10-11,18-19H2,(H,20,22)(H,21,23)
- InChI Key： CDGVJBQIIDMDGM-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1N)NCCCNC(C1C=CC=CC=1N)=O
Computed Properties
- Exact Mass: 312.1588
- Monoisotopic Mass: 312.15862589g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 6
- Complexity: 366
- 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: 2.3
- Topological Polar Surface Area: 110?2
Experimental Properties
- PSA: 110.24
Benzamide, N,N'-1,3-propanediylbis[2-amino- Related Literature
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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