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Home > Other Heterocycles > 294177-33-6
294177-33-6 | (1S,4S)-2-phenyl-2,5-diazabicyclo[2.2.1]heptane
CAS No: 294177-33-6 Catalog No: AG01BICL MDL No:MFCD18452062
Product Description
Catalog Number:
AG01BICL
Chemical Name:
(1S,4S)-2-phenyl-2,5-diazabicyclo[2.2.1]heptane
CAS Number:
294177-33-6
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD18452062
IUPAC Name:
(1R,4R)-2-phenyl-2,5-diazabicyclo[2.2.1]heptane
InChI:
InChI=1S/C11H14N2/c1-2-4-10(5-3-1)13-8-9-6-11(13)7-12-9/h1-5,9,11-12H,6-8H2/t9-,11-/m1/s1
InChI Key:
GWYXZPLBADDTQS-MWLCHTKSSA-N
SMILES:
c1ccc(cc1)N1C[C@@H]2C[C@H]1CN2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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