exo-2-Amino-7-Boc-azabicyclo[2.2.1]heptane - CAS 500556-93-4
Catalog: |
BB074986 |
Product Name: |
exo-2-Amino-7-Boc-azabicyclo[2.2.1]heptane |
CAS: |
500556-93-4 |
Synonyms: |
(1r,2s,4s)-rel-2-amino-7-boc-7-azabicyclo[2.2.1]heptane; TERT-BUTYL (1R,2S,4S)-2-AMINO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE; 2S-2-Amino-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester |
IUPAC Name: | tert-butyl (1R,2S,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate |
Molecular Weight: | 212.29 |
Molecular Formula: | C11H20N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2CCC1C(C2)N |
InChI: | InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(13)8(12)6-7/h7-9H,4-6,12H2,1-3H3/t7-,8-,9+/m0/s1 |
InChI Key: | JRZFZVWZIJNIEQ-XHNCKOQMSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
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: | 55.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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