TL;DR: N-Propyl-N-(3-carboxypropyl)nitrosamine (CAS 56316-37-1) is a chemical compound with molecular formula C7H14N2O3 and molecular weight 174.10045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[nitroso(propyl)amino]butanoic acid
Also Known As: 4-[nitroso(propyl)amino]butanoic acid, N-Propyl-N-(3-carboxypropyl)nitrosamine, N-PROPYL-N- NITROSAMINE, 4-(Propylnitrosoamino)butyric acid, 4-(Nitrosopropylamino)butanoic acid
| Molecular Formula | C7H14N2O3 |
| Molecular Weight | 174.10045 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 70.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.10045 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | CCCN(CCCC(=O)O)N=O |
| InChIKey | YWDAVUKHNHOYAX-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Propyl-N-(3-carboxypropyl)nitrosamine. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Propyl-N-(3-carboxypropyl)nitrosamine. Following Lipinski's Rule of Five, N-Propyl-N-(3-carboxypropyl)nitrosamine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-Propyl-N-(3-carboxypropyl)nitrosamine is 56316-37-1.
The molecular formula of N-Propyl-N-(3-carboxypropyl)nitrosamine is C7H14N2O3.
The molecular weight of N-Propyl-N-(3-carboxypropyl)nitrosamine is 174.10045 g/mol.
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