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119008-53-6 | Pyrrolidine, 2,5-dimethyl-1-(phenylmethyl)-, (2R,5R)-
CAS No: 119008-53-6 Catalog No: AG000P25 MDL No:
Product Description
Catalog Number:
AG000P25
Chemical Name:
Pyrrolidine, 2,5-dimethyl-1-(phenylmethyl)-, (2R,5R)-
CAS Number:
119008-53-6
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
(2R,5R)-1-benzyl-2,5-dimethylpyrrolidine
InChI:
InChI=1S/C13H19N/c1-11-8-9-12(2)14(11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/t11-,12-/m1/s1
InChI Key:
KKRNGUFZPFNIFS-VXGBXAGGSA-N
SMILES:
C[C@@H]1CC[C@H](N1Cc1ccccc1)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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