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89646-39-9 | 1,4-Pentanediol, 2-(4-morpholinylmethyl)-1,1-diphenyl-
CAS No: 89646-39-9 Catalog No: AG003VHO MDL No:
Product Description
Catalog Number:
AG003VHO
Chemical Name:
1,4-Pentanediol, 2-(4-morpholinylmethyl)-1,1-diphenyl-
CAS Number:
89646-39-9
Molecular Formula:
C22H29NO3
Molecular Weight:
355.4706
IUPAC Name:
2-(morpholin-4-ylmethyl)-1,1-diphenylpentane-1,4-diol
InChI:
InChI=1S/C22H29NO3/c1-18(24)16-21(17-23-12-14-26-15-13-23)22(25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21,24-25H,12-17H2,1H3
InChI Key:
DEKVQWDLUFRXQB-UHFFFAOYSA-N
SMILES:
CC(CC(C(c1ccccc1)(c1ccccc1)O)CN1CCOCC1)O
Properties
Complexity:
380
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:
7
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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