| CAS Number | 54151-46-1 |
| Catalog Number | AG01AFB6(AGN-PC-0WODAN) |
| Chemical Name | 1-(Azepan-1-yl)propan-2-amine |
| IUPAC Name | 1-(azepan-1-yl)propan-2-amine |
| InChI | InChI=1S/C9H20N2/c1-9(10)8-11-6-4-2-3-5-7-11/h9H,2-8,10H2,1H3 |
| InChI Key | OBBYUKKVCZUXOY-UHFFFAOYSA-N |
| MDL Number | MFCD09262751 |
| Molecular Formula | C9H20N2 |
| Molecular Weight | 156.2685 |
| SMILES | CC(CN1CCCCCC1)N |
| Synonyms | 1-(azepan-1-yl)propan-2-amine,
54151-46-1,
2-Azepan-1-yl-1-methyl-ethylamine,
SCHEMBL15768017,
CTK6A8401,
1-AZEPAN-1-YLPROPAN-2-AMINE,
AKOS000139867,
AKOS016046585,
MCULE-6517550605,
NE36707,
|
| Complexity | 95.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.273g/mol |
| Monoisotopic Mass | 156.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number