| CAS Number | 1454648-83-9 |
| Catalog Number | AG019EXB(AGN-PC-0WG4N5) |
| Chemical Name | (Meso-1R,5S,6S)-Benzyl 6-Amino-3-Azabicyclo[3.1.0]Hexane-3-Carboxylate Hydrochloride |
| IUPAC Name | benzyl (1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride |
| InChI | InChI=1S/C13H16N2O2.ClH/c14-12-10-6-15(7-11(10)12)13(16)17-8-9-4-2-1-3-5-9;/h1-5,10-12H,6-8,14H2;1H/t10-,11+,12?; |
| InChI Key | GZAXSRIURFIYAO-ZLURZNERSA-N |
| MDL Number | MFCD28992089 |
| Molecular Formula | C13H17ClN2O2 |
| Molecular Weight | 268.7393 |
| SMILES | O=C(N3C[C@]2([H])[C@@H](N)[C@@]([H])2C3)OCC1=CC=CC=C1.[H]Cl |
| Synonyms | 1454648-83-9,
(1S,5S)-Benzyl 6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate hydrochloride,
CS-0035945,
(Meso-1R,5S,6S)-Benzyl 6-Amino-3-Azabicyclo[3.1.0]Hexane-3-Carboxylate Hydrochloride,
Benzyl (1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate hydrochloride,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.741g/mol |
| Monoisotopic Mass | 268.098g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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