Chemical Name - Di-n-Butylamine
Mol Weight - 129.246
Smiles - CCCCNCCCC
Mol Weight - 129.246
Smiles - CCCCNCCCC
| Property Value | |
| Mol Name | Di-n-Butylamine |
| Molweight | 129.246 |
| Monoisotopic Mass | 129.151749 |
| Clogp | 2.2281 |
| Clogs | -1.849 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 132.04 |
| Relative Psa | 0.086792 |
| Polar Surface Area | 12.03 |
| Druglikeness | -1.9785 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 1 |
| Molecular Flexibility | 0.61071 |
| Molecular Complexity | 0.34657 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bonds | 6 |
| Sp3 Atoms | 9 |
| Symmetric Atoms | 4 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CCCCNCCCC |
| InChIKey | InChI=1S/C8H19N/c1-3-5-7-9-8-6-4-2/h9H,3-8H2,1-2H3 |
| InChI | JQVDAXLFBXTEQA-UHFFFAOYSA-N |
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