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144861-00-7 | Dodecanoic acid, 12-[bis(2-hydroxyethyl)amino]-12-oxododecyl ester
CAS No: 144861-00-7 Catalog No: AG001K8F MDL No:
Product Description
Catalog Number:
AG001K8F
Chemical Name:
Dodecanoic acid, 12-[bis(2-hydroxyethyl)amino]-12-oxododecyl ester
CAS Number:
144861-00-7
Molecular Formula:
C28H55NO5
Molecular Weight:
485.7400
IUPAC Name:
[12-[bis(2-hydroxyethyl)amino]-12-oxododecyl] dodecanoate
InChI:
InChI=1S/C28H55NO5/c1-2-3-4-5-6-8-12-15-18-21-28(33)34-26-19-16-13-10-7-9-11-14-17-20-27(32)29(22-24-30)23-25-31/h30-31H,2-26H2,1H3
InChI Key:
MOAAWTWRIPIFQA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OCCCCCCCCCCCC(=O)N(CCO)CCO
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
485.408g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
485.75g/mol
Monoisotopic Mass:
485.408g/mol
Rotatable Bond Count:
27
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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