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139504-39-5 | Glycine, N,N-dioctadecyl-
CAS No: 139504-39-5 Catalog No: AG001B54 MDL No:
Product Description
Catalog Number:
AG001B54
Chemical Name:
Glycine, N,N-dioctadecyl-
CAS Number:
139504-39-5
Molecular Formula:
C38H77NO2
Molecular Weight:
580.0235
IUPAC Name:
2-(dioctadecylamino)acetic acid
InChI:
InChI=1S/C38H77NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(37-38(40)41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3,(H,40,41)
InChI Key:
YYIMETXSQCBXIB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCN(CC(=O)O)CCCCCCCCCCCCCCCCCC
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
579.595g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
580.039g/mol
Monoisotopic Mass:
579.595g/mol
Rotatable Bond Count:
36
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.2
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