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157604-84-7 | 2,5-Pyrrolidinedimethanol, 1-(phenylmethyl)-, (2R,5R)-rel-
CAS No: 157604-84-7 Catalog No: AG001PKF MDL No:
Product Description
Catalog Number:
AG001PKF
Chemical Name:
2,5-Pyrrolidinedimethanol, 1-(phenylmethyl)-, (2R,5R)-rel-
CAS Number:
157604-84-7
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
[(2S,5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C13H19NO2/c15-9-12-6-7-13(10-16)14(12)8-11-4-2-1-3-5-11/h1-5,12-13,15-16H,6-10H2/t12-,13-/m0/s1
InChI Key:
KDHJNPHFSBLEMM-STQMWFEESA-N
SMILES:
OC[C@H]1CC[C@@H](N1Cc1ccccc1)CO
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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