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1793-68-6 | Dodecanoic acid, 2-[bis(2-hydroxyethyl)amino]ethyl ester
CAS No: 1793-68-6 Catalog No: AG0026X7 MDL No:
Product Description
Catalog Number:
AG0026X7
Chemical Name:
Dodecanoic acid, 2-[bis(2-hydroxyethyl)amino]ethyl ester
CAS Number:
1793-68-6
Molecular Formula:
C18H37NO4
Molecular Weight:
331.4907
IUPAC Name:
2-[bis(2-hydroxyethyl)amino]ethyl dodecanoate
InChI:
InChI=1S/C18H37NO4/c1-2-3-4-5-6-7-8-9-10-11-18(22)23-17-14-19(12-15-20)13-16-21/h20-21H,2-17H2,1H3
InChI Key:
WGDZQINGRJYRHS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCCN(CCO)CCO
EC Number:
217-261-3
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.272g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.497g/mol
Monoisotopic Mass:
331.272g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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