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89646-40-2 | 1,4-Butanediol, 2-[2-(4-morpholinyl)ethyl]-1,1-diphenyl-
CAS No: 89646-40-2 Catalog No: AG003VRF MDL No:
Product Description
Catalog Number:
AG003VRF
Chemical Name:
1,4-Butanediol, 2-[2-(4-morpholinyl)ethyl]-1,1-diphenyl-
CAS Number:
89646-40-2
Molecular Formula:
C22H29NO3
Molecular Weight:
355.4706
IUPAC Name:
2-(2-morpholin-4-ylethyl)-1,1-diphenylbutane-1,4-diol
InChI:
InChI=1S/C22H29NO3/c24-16-12-21(11-13-23-14-17-26-18-15-23)22(25,19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,21,24-25H,11-18H2
InChI Key:
PRXBFGPADFFDMD-UHFFFAOYSA-N
SMILES:
OCCC(C(c1ccccc1)(c1ccccc1)O)CCN1CCOCC1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.215g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.478g/mol
Monoisotopic Mass:
355.215g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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