| CAS Number | 1038509-56-6 |
| Catalog Number | AG00HA74(AGN-PC-0WD8Q4) |
| Chemical Name | (1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-methylamine |
| IUPAC Name | tert-butyl (1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate |
| InChI | InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-8(6-12)4-7-5-9(7)13/h7-9H,4-6,12H2,1-3H3/t7-,8+,9+/m1/s1 |
| InChI Key | ZBNRVIGHEROTFW-VGMNWLOBSA-N |
| MDL Number | MFCD28501263 |
| Molecular Formula | C11H20N2O2 |
| Molecular Weight | 212.2887 |
| SMILES | NC[C@H]2N(C(OC(C)(C)C)=O)[C@@]1([H])C[C@]([H])1C2 |
| Synonyms | 1038509-56-6,
(1s,3s,5s)-2-boc-2-azabicyclo[3.1.0]hexane-3-methylamine,
(1S,3S,5S)-tert-Butyl 3-(aminomethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylate,
SCHEMBL1572284,
ZBNRVIGHEROTFW-VGMNWLOBSA-N,
SB12099,
CS-0055637,
(1S,3S,5S)-3-aminomethyl-2-aza-bicyclo[3.1.0]hexane-2-carboxylic acid tert-butyl ester,
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| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.152g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.293g/mol |
| Monoisotopic Mass | 212.152g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number