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89646-37-7 | 1,4-Butanediol, 2-(4-morpholinylmethyl)-1,1-diphenyl-
CAS No: 89646-37-7 Catalog No: AG003VRH MDL No:
Product Description
Catalog Number:
AG003VRH
Chemical Name:
1,4-Butanediol, 2-(4-morpholinylmethyl)-1,1-diphenyl-
CAS Number:
89646-37-7
Molecular Formula:
C21H27NO3
Molecular Weight:
341.4440
IUPAC Name:
2-(morpholin-4-ylmethyl)-1,1-diphenylbutane-1,4-diol
InChI:
InChI=1S/C21H27NO3/c23-14-11-20(17-22-12-15-25-16-13-22)21(24,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20,23-24H,11-17H2
InChI Key:
TWSRYHBDHMQFCW-UHFFFAOYSA-N
SMILES:
OCCC(C(c1ccccc1)(c1ccccc1)O)CN1CCOCC1
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.199g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
341.451g/mol
Monoisotopic Mass:
341.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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