Cas no 3413-76-1 ( )
structure
Product Name:
CAS No:3413-76-1
MF:C10H19N7O
MW:253.304160356522
CID:918780
PubChem ID:349911
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (5Z)-5-[[2-(diethylamino)ethylamino]hydrazinylidene]imidazole-4-carboxamide
- NSC409821
- NSC-409821
- 3413-76-1
- DTXSID40421412
- 4-[2-[2-(diethylamino)ethylimino]hydrazinyl]-1H-imidazole-5-carboxamide
-
-
- Inchi： 1S/C10H19N7O/c1-3-17(4-2)6-5-14-16-15-10-8(9(11)18)12-7-13-10/h7H,3-6H2,1-2H3,(H2,11,18)(H,12,13)(H,14,15)
- InChI Key： HSAFETOQILTVSP-UHFFFAOYSA-N
- SMILES： O=C(C1=C(N=CN1)N/N=N/CCN(CC)CC)N
Computed Properties
- Exact Mass: 253.16537
- Monoisotopic Mass: 253.165108
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 370
- 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: 108
- XLogP3: 1.3
Experimental Properties
- Density: 1.32
- Boiling Point: 383.6°C at 760 mmHg
- Flash Point: 185.8°C
- Refractive Index: 1.623
- PSA: 108.53
Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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