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158984-00-0 | Phenol, 2-[[[2-[bis(2-hydroxyethyl)amino]ethyl]imino]methyl]-
CAS No: 158984-00-0 Catalog No: AG001R2A MDL No:
Product Description
Catalog Number:
AG001R2A
Chemical Name:
Phenol, 2-[[[2-[bis(2-hydroxyethyl)amino]ethyl]imino]methyl]-
CAS Number:
158984-00-0
Molecular Formula:
C13H20N2O3
Molecular Weight:
252.3095
IUPAC Name:
2-[2-[bis(2-hydroxyethyl)amino]ethyliminomethyl]phenol
InChI:
InChI=1S/C13H20N2O3/c16-9-7-15(8-10-17)6-5-14-11-12-3-1-2-4-13(12)18/h1-4,11,16-18H,5-10H2
InChI Key:
FXWXZYGGVOFVEI-UHFFFAOYSA-N
SMILES:
OCCN(CCN=Cc1ccccc1O)CCO
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.147g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.314g/mol
Monoisotopic Mass:
252.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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