| CAS Number | 933733-50-7 |
| Catalog Number | AG01AJU5(AGN-PC-0WO9WC) |
| Chemical Name | 4-(Pyrrolidin-1-yl)azepane |
| IUPAC Name | 4-pyrrolidin-1-ylazepane |
| InChI | InChI=1S/C10H20N2/c1-2-9-12(8-1)10-4-3-6-11-7-5-10/h10-11H,1-9H2 |
| InChI Key | NBJVJNQGFQFOTB-UHFFFAOYSA-N |
| MDL Number | MFCD19598011 |
| Molecular Formula | C10H20N2 |
| Molecular Weight | 168.2792 |
| SMILES | C1CN(C2CCNCCC2)CC1 |
| Synonyms | 4-(pyrrolidin-1-yl)azepane,
933733-50-7,
SCHEMBL12730892,
AKOS013219919,
NE16512,
EN300-81924,
F2158-1044,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.284g/mol |
| Monoisotopic Mass | 168.163g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number