| CAS Number | 2102411-93-6 |
| Catalog Number | AG01DIE7 |
| Chemical Name | (1R,5S,6S)-6-(3-aminophenyl)-6-ethyl-3-(prop-2-en-1-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione |
| IUPAC Name | (1R,5S)-6-(3-aminophenyl)-6-ethyl-3-prop-2-enyl-3-azabicyclo[3.1.0]hexane-2,4-dione |
| InChI | InChI=1S/C16H18N2O2/c1-3-8-18-14(19)12-13(15(18)20)16(12,4-2)10-6-5-7-11(17)9-10/h3,5-7,9,12-13H,1,4,8,17H2,2H3/t12-,13+,16? |
| InChI Key | MSVXGXPQMMLPPJ-OCZCAGDBSA-N |
| MDL Number | MFCD31555365 |
| Molecular Formula | C16H18N2O2 |
| Molecular Weight | 270.3263 |
| SMILES | CC[C@@]1([C@H]2[C@@H]1C(=O)N(CC=C)C2=O)c1cccc(N)c1 |
| Synonyms | (1R,5S,6r)-3-allyl-6-(3-aminophenyl)-6-ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione,
2102411-93-6,
ZINC642881967,
AS-73773,
(1R,5S,6S)-6-(3-aminophenyl)-6-ethyl-3-(prop-2-en-1-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione,
|
| Complexity | 437 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.136828g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.33g/mol |
| Monoisotopic Mass | 270.136828g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number