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150050-18-3 | 2,4-Hexadienediamide, N,N'-bis(2-hydroxyethyl)-, (E,E)- (9CI)
CAS No: 150050-18-3 Catalog No: AG001M9L MDL No:
Product Description
Catalog Number:
AG001M9L
Chemical Name:
2,4-Hexadienediamide, N,N'-bis(2-hydroxyethyl)-, (E,E)- (9CI)
CAS Number:
150050-18-3
Molecular Formula:
C10H16N2O4
Molecular Weight:
228.2450
IUPAC Name:
N,N'-bis(2-hydroxyethyl)hexa-2,4-dienediamide
InChI:
InChI=1S/C10H16N2O4/c13-7-5-11-9(15)3-1-2-4-10(16)12-6-8-14/h1-4,13-14H,5-8H2,(H,11,15)(H,12,16)
InChI Key:
JDMWIAYKPAHDGG-UHFFFAOYSA-N
SMILES:
OCCNC(=O)/C=C/C=C/C(=O)NCCO
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
228.248g/mol
Monoisotopic Mass:
228.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
-1.7
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