| CAS Number | 120570-09-4 |
| Catalog Number | AG003BD6(AGN-PC-0PEVFP) |
| Chemical Name | (3R)-N-[(1S)-1-Phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine Dihydrochloride |
| IUPAC Name | (3R)-N-[(1S)-1-phenylethyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride |
| InChI | InChI=1S/C15H22N2.2ClH/c1-12(13-5-3-2-4-6-13)16-15-11-17-9-7-14(15)8-10-17;;/h2-6,12,14-16H,7-11H2,1H3;2*1H/t12-,15-;;/m0../s1 |
| InChI Key | BABMCKVVGDIUCA-XPTKPXFUSA-N |
| MDL Number | MFCD01321399 |
| Molecular Formula | C15H24Cl2N2 |
| Molecular Weight | 303.2705 |
| SMILES | C[C@H](NC1N2CCC(C1)CC2)C3=CC=CC=C3.Cl.Cl |
| Synonyms | (R)-N-((S)-1-Phenylethyl)quinuclidin-3-amine dihydrochloride,
(+)-N-(1(S)-Phenylethyl)-1-azabicyclo[2.2.2]octan-3(R)-amine hydrochloride,
(R)-N-((S)-1-phenylethyl)quinuclidin-3-aMine (dihydrochloride),
120570-09-4,
128311-06-8,
C15H22N2.2ClH,
SCHEMBL9486745,
CS-M0936,
2939AH,
AKOS022180219,
CS-13394,
[S-(R,S)]-(+)-N-(1-Phenylethyl)-1-Azabicyclo[2.2.2]Octan-3-Amine Dihydrochloride,
J-004361,
(+)-N-(1(S)-Phenylethyl)-1-azabicyclo[2.2.2]octan-3(R)-amine dihydrochloride,98%,
(+)-N-(1(S)-Phenylethyl)-1-azabicyclo[2.2.2]octan-3(R)-amine hydrochloride, 98%,
[S-(R,S)]-(+)-N-(1-PHENYLETHYL)-1-AZABICYCLO[2.2.2]OCTAN-3-AMINE,DIHYDROCHLORIDE,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.271g/mol |
| Monoisotopic Mass | 302.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number