| CAS Number | 45982-66-9 |
| Catalog Number | AG00DIID(AGN-PC-05EW7N) |
| Chemical Name | 1,4-dioxaspiro[4.5]decan-2-ylmethanamine |
| IUPAC Name | 1,4-dioxaspiro[4.5]decan-3-ylmethanamine |
| InChI | InChI=1S/C9H17NO2/c10-6-8-7-11-9(12-8)4-2-1-3-5-9/h8H,1-7,10H2 |
| InChI Key | FHXNYYFOSMSGPE-UHFFFAOYSA-N |
| MDL Number | MFCD10032747 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | NCC1OC2(CCCCC2)OC1 |
| Synonyms | 45982-66-9,
1,4-Dioxaspiro[4.5]decane-2-methanamine,
1,4-dioxaspiro[4.5]decan-2-ylmethanamine,
(1,4-dioxaspiro[4.5]dec-2-ylmethyl)amine,
SCHEMBL8325616,
CTK1D5189,
DTXSID00452944,
AKOS006303582,
MCULE-2657273328,
VU0494878-1,
L-5179,
F2189-0240,
CID11041163,
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| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number