TL;DR: N-({[2-(dimethylamino)ethyl](nitroso)amino}carbonyl)ethanaminium nitrite (CAS 142713-78-8) is a chemical compound with molecular formula C7H17N5O4 and molecular weight 235.12805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(dimethylamino)ethyl-nitrosocarbamoyl]-ethylazanium nitrite
Also Known As: Dimethylaminoethylnitrosoethylurea, nitrite salt, CP 100356, N,N-Dimethylaminoethylnitrosoethylurea, nitrite salt, [2-dimethylaminoethyl(nitroso)carbamoyl]-ethylazanium nitrite, N-({[2-(dimethylamino)ethyl](nitroso)amino}carbonyl)ethanaminium nitrite
| Molecular Formula | C7H17N5O4 |
| Molecular Weight | 235.12805 g/mol |
| XLogP | -0.5147 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.12805 Da |
| Heavy Atoms | 16 |
| Complexity | 179.0 |
| SMILES | CC[NH2+]C(=O)N(CCN(C)C)N=O.N(=O)[O-] |
| InChIKey | AYVSFVWEOOHHAW-UHFFFAOYSA-N |
The XLogP value of -0.5147 indicates that N-({[2-(dimethylamino)ethyl](nitroso)amino}carbonyl)ethanaminium nitrite is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-({[2-(dimethylamino)ethyl](nitroso)amino}carbonyl)ethanaminium nitrite. Following Lipinski's Rule of Five, N-({[2-(dimethylamino)ethyl](nitroso)amino}carbonyl)ethanaminium nitrite has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-({[2-(dimethylamino)ethyl](nitroso)amino}carbonyl)ethanaminium nitrite is 142713-78-8.
The molecular formula of N-({[2-(dimethylamino)ethyl](nitroso)amino}carbonyl)ethanaminium nitrite is C7H17N5O4.
The molecular weight of N-({[2-(dimethylamino)ethyl](nitroso)amino}carbonyl)ethanaminium nitrite is 235.12805 g/mol.
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