| CAS Number | 881040-13-7 |
| Catalog Number | AG00IEVI(AGN-PC-0WRAFK) |
| Chemical Name | 1-(2-Pyrrolidinylmethyl)azepane |
| IUPAC Name | 1-(pyrrolidin-2-ylmethyl)azepane |
| InChI | InChI=1S/C11H22N2/c1-2-4-9-13(8-3-1)10-11-6-5-7-12-11/h11-12H,1-10H2 |
| InChI Key | GVAJTFQLOLODFH-UHFFFAOYSA-N |
| MDL Number | MFCD06653331 |
| Molecular Formula | C11H22N2 |
| Molecular Weight | 182.3058 |
| SMILES | C(N1CCCCCC1)C1NCCC1 |
| Synonyms | 1-(pyrrolidin-2-ylmethyl)azepane,
881040-13-7,
1-(2-PYRROLIDINYLMETHYL)AZEPANE,
AC1NFX09,
SCHEMBL2387767,
1-Pyrrolidin-2-ylmethyl-azepane,
BBL020989,
KM4829,
MFCD06653331,
STK893695,
AKOS000257084,
AKOS016343629,
MCULE-5095792796,
BB 0249574,
CID4715239,
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| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.311g/mol |
| Monoisotopic Mass | 182.178g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number