| CAS Number | 1242184-45-7 |
| Catalog Number | AG00AA2T(AGN-PC-0WRAQC) |
| Chemical Name | rac-(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid hydrochloride |
| IUPAC Name | (1R,2S,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C8H11NO2.ClH/c9-7-5-2-1-4(3-5)6(7)8(10)11;/h1-2,4-7H,3,9H2,(H,10,11);1H/t4-,5+,6-,7+;/m0./s1 |
| InChI Key | JZBHUJIMERBHKY-DABREVLYSA-N |
| MDL Number | MFCD28024787 |
| Molecular Formula | C8H12ClNO2 |
| Molecular Weight | 189.6394 |
| SMILES | [C@@H]1(C(O)=O)[C@H](N)[C@]2(C[C@]1([H])C=C2)[H].Cl |
| Synonyms | 1242184-45-7,
(+/-)-cis-(exo)-3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid hydrochloride,
(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid hydrochloride,
53623-52-2,
KS-00002BMX,
MFCD28024787,
AKOS030631167,
rac-(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid hydrochloride,
JZBHUJIMERBHKY-DABREVLYSA-N,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.639g/mol |
| Monoisotopic Mass | 189.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number