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162698-41-1 | 3-Azetidinemethanol, 1-(diphenylmethyl)-, 3-methanesulfonate
CAS No: 162698-41-1 Catalog No: AG001TBZ MDL No:
Product Description
Catalog Number:
AG001TBZ
Chemical Name:
3-Azetidinemethanol, 1-(diphenylmethyl)-, 3-methanesulfonate
CAS Number:
162698-41-1
Molecular Formula:
C18H21NO3S
Molecular Weight:
331.4292
IUPAC Name:
(1-benzhydrylazetidin-3-yl)methyl methanesulfonate
InChI:
InChI=1S/C18H21NO3S/c1-23(20,21)22-14-15-12-19(13-15)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3
InChI Key:
JCOQDAJMCQWEAH-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)OCC1CN(C1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.124g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.43g/mol
Monoisotopic Mass:
331.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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