| CAS Number | 1630906-54-5 |
| Catalog Number | AG001TOZ(AGN-PC-0WCXB2) |
| Chemical Name | Carbamic acid, N-(4-aminobicyclo[2.2.2]oct-1-yl)-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate |
| InChI | InChI=1S/C13H24N2O2/c1-11(2,3)17-10(16)15-13-7-4-12(14,5-8-13)6-9-13/h4-9,14H2,1-3H3,(H,15,16) |
| InChI Key | GRVKFPSOHUZDAY-UHFFFAOYSA-N |
| MDL Number | MFCD28164285 |
| Molecular Formula | C13H24N2O2 |
| Molecular Weight | 240.3419 |
| SMILES | O=C(OC(C)(C)C)NC1(CC2)CCC2(N)CC1 |
| Synonyms | 1630906-54-5,
tert-Butyl (4-aminobicyclo[2.2.2]octan-1-yl)carbamate,
tert-butyl N-{4-aminobicyclo[2.2.2]octan-1-yl}carbamate,
I9810,
A1-01574,
SCHEMBL20575845,
KS-000019YL,
MFCD27987308,
ZINC230569781,
FCH2899082,
SB13297,
AK171295,
AS-35200,
CS-0040455,
1-(Boc-amino)-4-aminobicyclo[1.1.1]octane,
tert-butyl N-(4-amino-1-bicyclo[2.2.2]octanyl)carbamate,
Carbamic acid, N-(4-aminobicyclo[2.2.2]oct-1-yl)-, 1,1-dimethylethyl ester,
tert-butyl N-(1-amino-4-bicyclo[2.2.2]octanyl)carbamate,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.347g/mol |
| Monoisotopic Mass | 240.184g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number