| CAS Number | 933720-55-9 |
| Catalog Number | AG00GVTU(AGN-PC-0WB5U0) |
| Chemical Name | 2-(1-Pyrrolidinylmethyl)-1,4-oxazepane |
| IUPAC Name | 2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane |
| InChI | InChI=1S/C10H20N2O/c1-2-6-12(5-1)9-10-8-11-4-3-7-13-10/h10-11H,1-9H2 |
| InChI Key | NFHDKDQZUBECJA-UHFFFAOYSA-N |
| MDL Number | MFCD18381914 |
| Molecular Formula | C10H20N2O |
| Molecular Weight | 184.2786 |
| SMILES | C(C1CNCCCO1)N1CCCC1 |
| Synonyms | 933720-55-9,
2-(1-pyrrolidinylmethyl)-1,4-oxazepane,
2-(Pyrrolidin-1-ylmethyl)-1,4-oxazepane,
MFCD18381914,
AKOS006317214,
Y-7885,
2-(1-pyrrolidinylmethyl)-1,4-oxazepane(SALTDATA,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.283g/mol |
| Monoisotopic Mass | 184.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 24.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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