TL;DR: (R)-N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine (CAS 153117-08-9) is a chemical compound with molecular formula C14H22N2O2 and molecular weight 250.16812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2R)-2-benzyl-3-hydroxypropyl]-N-butylnitrous amide
Also Known As: (R)-N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine, N-[(2R)-2-benzyl-3-hydroxypropyl]-N-butylnitrous amide, N-(2-benzyl-3-hydroxypropyl)-N-butylnitrous amide, N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine, (R)-, N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine,(R)-
| Molecular Formula | C14H22N2O2 |
| Molecular Weight | 250.16812 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 250.16812 Da |
| Heavy Atoms | 18 |
| Complexity | 218.0 |
| SMILES | CCCCN(C[C@@H](CC1=CC=CC=C1)CO)N=O |
| InChIKey | LHJYRXKEGWJYKB-CQSZACIVSA-N |
The XLogP value of 3.0 indicates that (R)-N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, (R)-N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (R)-N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (R)-N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine is 153117-08-9.
The molecular formula of (R)-N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine is C14H22N2O2.
The molecular weight of (R)-N-Nitroso-N-(2-benzyl-3-hydroxypropyl)butylamine is 250.16812 g/mol.
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