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123220-94-0 | 1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triethanol
CAS No: 123220-94-0 Catalog No: AG000K6I MDL No:
Product Description
Catalog Number:
AG000K6I
Chemical Name:
1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triethanol
CAS Number:
123220-94-0
Molecular Formula:
C18H39N3O6
Molecular Weight:
393.5188
IUPAC Name:
2-[10,16-bis(2-hydroxyethyl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl]ethanol
InChI:
InChI=1S/C18H39N3O6/c22-10-1-19-4-13-25-15-6-20(2-11-23)8-17-27-18-9-21(3-12-24)7-16-26-14-5-19/h22-24H,1-18H2
InChI Key:
GSOUESUEQSFSNO-UHFFFAOYSA-N
SMILES:
OCCN1CCOCCN(CCO)CCOCCN(CCOCC1)CCO
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.284g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
393.525g/mol
Monoisotopic Mass:
393.284g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.4
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