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114290-60-7 | Phenol, 2,4,6-tris[[(hydroxymethyl)methylamino]methyl]-
CAS No: 114290-60-7 Catalog No: AG000AZA MDL No:
Product Description
Catalog Number:
AG000AZA
Chemical Name:
Phenol, 2,4,6-tris[[(hydroxymethyl)methylamino]methyl]-
CAS Number:
114290-60-7
Molecular Formula:
C15H27N3O4
Molecular Weight:
313.3926
IUPAC Name:
2,4,6-tris[[hydroxymethyl(methyl)amino]methyl]phenol
InChI:
InChI=1S/C15H27N3O4/c1-16(9-19)6-12-4-13(7-17(2)10-20)15(22)14(5-12)8-18(3)11-21/h4-5,19-22H,6-11H2,1-3H3
InChI Key:
FWMCOYLFUCBELR-UHFFFAOYSA-N
SMILES:
OCN(Cc1cc(CN(CO)C)c(c(c1)CN(CO)C)O)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.2g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
313.398g/mol
Monoisotopic Mass:
313.2g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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