(1R,6S)-3-Boc-3,7-diazabicyclo[4.2.0]octane - CAS 1417789-72-0
Catalog: |
BB073895 |
Product Name: |
(1R,6S)-3-Boc-3,7-diazabicyclo[4.2.0]octane |
CAS: |
1417789-72-0 |
Synonyms: |
(1R,6S)-3-Boc-3,7-diazabicyclo[4.2.0]octane; TERT-BUTYL (1R,6S)-3,7-DIAZABICYCLO[4.2.0]OCTANE-3-CARBOXYLATE; (1R,6S)-Rel-3-Boc-3,7-diazabicyclo[4.2.0]octane |
IUPAC Name: | tert-butyl (1R,6S)-3,7-diazabicyclo[4.2.0]octane-3-carboxylate |
Description: | (1R,6S)-3-Boc-3,7-diazabicyclo[4.2.0]octane |
Molecular Weight: | 212.29 |
Molecular Formula: | C11H20N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CCC2C(C1)CN2 |
InChI: | InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-9-8(7-13)6-12-9/h8-9,12H,4-7H2,1-3H3/t8-,9+/m1/s1 |
InChI Key: | TUIAJQPTVCSWOB-BDAKNGLRSA-N |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.152477885 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.152477885 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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