N-(4-Aminobicyclo[2.2.1]hept-1-yl)carbamic Acid 1,1-Dimethylethyl Ester - CAS 1630907-27-5
Catalog: |
BB054982 |
Product Name: |
N-(4-Aminobicyclo[2.2.1]hept-1-yl)carbamic Acid 1,1-Dimethylethyl Ester |
CAS: |
1630907-27-5 |
Synonyms: |
tert-Butyl (4-aminobicyclo[2.2.1]heptan-1-yl)carbamate; tert-Butyl N-{4-aminobicyclo[2.2.1]heptan-1-yl}carbamate; tert-butyl N-(4-amino-1-bicyclo[2.2.1]heptanyl)carbamate; tert-butylN-{4-aminobicyclo[2.2.1]heptan-1-yl}carbamate; 1-(Boc-amino)-4-aminobicyclo[2.2.1]heptane; tert-Butyl ((1r,4r)-4-aminobicyclo[2.2.1]heptan-1-yl)carbamate |
IUPAC Name: | tert-butyl N-(4-amino-1-bicyclo[2.2.1]heptanyl)carbamate |
Molecular Weight: | 226.32 |
Molecular Formula: | C12H22N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC12CCC(C1)(CC2)N |
InChI: | InChI=1S/C12H22N2O2/c1-10(2,3)16-9(15)14-12-6-4-11(13,8-12)5-7-12/h4-8,13H2,1-3H3,(H,14,15) |
InChI Key: | PDJAMSVGNXBESR-UHFFFAOYSA-N |
Complexity: | 299 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.168127949 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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