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13941-68-9 | Glycine, N,N'-[(octylimino)di-2,1-ethanediyl]bis[N-(carboxymethyl)- (9CI)
CAS No: 13941-68-9 Catalog No: AG001AZI MDL No:
Product Description
Catalog Number:
AG001AZI
Chemical Name:
Glycine, N,N'-[(octylimino)di-2,1-ethanediyl]bis[N-(carboxymethyl)- (9CI)
CAS Number:
13941-68-9
Molecular Formula:
C20H37N3O8
Molecular Weight:
447.5231
IUPAC Name:
2-[2-[2-[bis(carboxymethyl)amino]ethyl-octylamino]ethyl-(carboxymethyl)amino]acetic acid
InChI:
InChI=1S/C20H37N3O8/c1-2-3-4-5-6-7-8-21(9-11-22(13-17(24)25)14-18(26)27)10-12-23(15-19(28)29)16-20(30)31/h2-16H2,1H3,(H,24,25)(H,26,27)(H,28,29)(H,30,31)
InChI Key:
WPORTDUIDIVDCL-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.258g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
447.529g/mol
Monoisotopic Mass:
447.258g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
159A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.7
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