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163434-13-7 | 1,4,8,12-Tetraazacyclopentadecane-1,4,8,12-tetraethanol
CAS No: 163434-13-7 Catalog No: AG001U3E MDL No:
Product Description
Catalog Number:
AG001U3E
Chemical Name:
1,4,8,12-Tetraazacyclopentadecane-1,4,8,12-tetraethanol
CAS Number:
163434-13-7
Molecular Formula:
C19H42N4O4
Molecular Weight:
390.5612
IUPAC Name:
2-[1,4,12-tris(2-hydroxyethyl)-1,4,8,12-tetrazacyclopentadec-8-yl]ethanol
InChI:
InChI=1S/C19H42N4O4/c24-16-12-20-4-1-5-21(13-17-25)7-3-9-23(15-19-27)11-10-22(14-18-26)8-2-6-20/h24-27H,1-19H2
InChI Key:
WIHOLDKYLNDSGO-UHFFFAOYSA-N
SMILES:
OCCN1CCCN(CCO)CCCN(CCN(CCC1)CCO)CCO
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.321g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
390.569g/mol
Monoisotopic Mass:
390.321g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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