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128311-06-8 | 1-Azabicyclo[2.2.2]octan-3-amine, N-[(1R)-1-phenylethyl]-, hydrochloride (1:2), (3S)-
CAS No: 128311-06-8 Catalog No: AG000XYK MDL No:MFCD18374464
Product Description
Catalog Number:
AG000XYK
Chemical Name:
1-Azabicyclo[2.2.2]octan-3-amine, N-[(1R)-1-phenylethyl]-, hydrochloride (1:2), (3S)-
CAS Number:
128311-06-8
Molecular Formula:
C15H24Cl2N2
Molecular Weight:
303.2705
MDL Number:
MFCD18374464
IUPAC Name:
(3S)-N-[(1R)-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-;;/m1../s1
InChI Key:
BABMCKVVGDIUCA-DGPOFWGLSA-N
SMILES:
C[C@@H](c1ccccc1)N[C@H]1CN2CCC1CC2.Cl.Cl
Properties
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
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