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100528-25-4 | Hexanoic acid, 6-[(6-aminohexyl)amino]-6-oxo-, methyl ester
CAS No: 100528-25-4 Catalog No: AG0002A2 MDL No:
Product Description
Catalog Number:
AG0002A2
Chemical Name:
Hexanoic acid, 6-[(6-aminohexyl)amino]-6-oxo-, methyl ester
CAS Number:
100528-25-4
Molecular Formula:
C13H26N2O3
Molecular Weight:
258.3571
IUPAC Name:
methyl 6-(6-aminohexylamino)-6-oxohexanoate
InChI:
InChI=1S/C13H26N2O3/c1-18-13(17)9-5-4-8-12(16)15-11-7-3-2-6-10-14/h2-11,14H2,1H3,(H,15,16)
InChI Key:
MOLHTSQVVAMDFH-UHFFFAOYSA-N
SMILES:
NCCCCCCNC(=O)CCCCC(=O)OC
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.194g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.362g/mol
Monoisotopic Mass:
258.194g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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