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Home > Other Heterocycles > 192461-71-5

192461-71-5

192461-71-5 | [(1R,3S,4S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol

CAS No: 192461-71-5 Catalog No: AG019QCI MDL No:MFCD09863450

Product Description

Catalog Number:
AG019QCI
Chemical Name:
[(1R,3S,4S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CAS Number:
192461-71-5
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
MDL Number:
MFCD09863450
IUPAC Name:
[(1R,4R)-2-(1-phenylethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
InChI:
InChI=1S/C15H21NO/c1-11(12-5-3-2-4-6-12)16-14-8-7-13(9-14)15(16)10-17/h2-6,11,13-15,17H,7-10H2,1H3/t11?,13-,14-,15?/m1/s1
InChI Key:
AJNLVRWOBBPLRG-INTODGSJSA-N
SMILES:
OC[C@@H]1[C@H]2CC[C@@H](N1[C@@H](c1ccccc1)C)C2

Properties

Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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