N-Boc-endo-3-aminotropane - CAS 207405-68-3
Catalog: |
BB072459 |
Product Name: |
N-Boc-endo-3-aminotropane |
CAS: |
207405-68-3 |
Synonyms: |
(3-endo)-3-Amino-8-azabicyclo[3.2.1]octane-8-carboxylic Acid 1,1-Dimethylethyl Ester; endo-3-Amino-8-azabicyclo[3.2.1]octane-8-carboxylic Acid 1,1-Dimethylethyl Ester; (3-endo)-3-Amino-8-azabicyclo[3.2.1]octane-8-carboxylic Acid tert-Butyl Ester; endo-3-Amino-8-azabicyclo[3.2.1]octane-8-carboxylic Acid tert-Butyl Ester |
IUPAC Name: | tert-butyl (1R,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate |
Molecular Weight: | 226.32 |
Molecular Formula: | C12H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C2CCC1CC(C2)N |
InChI: | InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9/h8-10H,4-7,13H2,1-3H3/t8?,9-,10+ |
InChI Key: | NZJKEPNCNBWESN-PBINXNQUSA-N |
References: | Armour, D.R., et al. Chem. Biol. Drug Des., 67, 305 (2006). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.168127949 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.168127949 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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