| CAS Number | 2095192-18-8 |
| Catalog Number | AG00J3EP(AGN-PC-0WRAV7) |
| Chemical Name | ethyl rac-(1R,5S,6s)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride |
| IUPAC Name | ethyl (1R,5S)-3-azabicyclo[3.1.0]hexane-6-carboxylate;hydrochloride |
| InChI | InChI=1S/C8H13NO2.ClH/c1-2-11-8(10)7-5-3-9-4-6(5)7;/h5-7,9H,2-4H2,1H3;1H/t5-,6+,7?; |
| InChI Key | FJXWRYLHEANOST-VPEOJXMDSA-N |
| MDL Number | MFCD28369448 |
| Molecular Formula | C8H14ClNO2 |
| Molecular Weight | 191.6553 |
| SMILES | [C@@H]12CNC[C@@H]1[C@@H]2C(OCC)=O.Cl |
| Synonyms | 1373253-19-0,
Ethyl rac-(1R,5S,6S)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride,
2095192-18-8,
(1R,5S,6r)-rel-Ethyl 3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride,
Ethyl (1R*,5S*,6r*)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride,
ethyl rac-(1R,5S,6r)-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride,
MFCD22194310,
MFCD28369448,
174456-77-0,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.655g/mol |
| Monoisotopic Mass | 191.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number