[8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]dec-8-yl]methylamine - CAS 887978-87-2
Catalog: |
BB039245 |
Product Name: |
[8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]dec-8-yl]methylamine |
CAS: |
887978-87-2 |
Synonyms: |
[8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine; [8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine |
IUPAC Name: | [8-(3-methylphenyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanamine |
Description: | [8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]dec-8-yl]methylamine (CAS# 887978-87-2) is a useful research chemical. |
Molecular Weight: | 261.36 |
Molecular Formula: | C16H23NO2 |
Canonical SMILES: | CC1=CC=CC(=C1)C2(CCC3(CC2)OCCO3)CN |
InChI: | InChI=1S/C16H23NO2/c1-13-3-2-4-14(11-13)15(12-17)5-7-16(8-6-15)18-9-10-19-16/h2-4,11H,5-10,12,17H2,1H3 |
InChI Key: | BKEURERNTRHFIB-UHFFFAOYSA-N |
LogP: | 3.20890 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.172878976 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.172878976 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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