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81213-60-7 | Hexanoic acid, 6-[(2-hydroxyethyl)octylamino]-
CAS No: 81213-60-7 Catalog No: AG004ZGN MDL No:
Product Description
Catalog Number:
AG004ZGN
Chemical Name:
Hexanoic acid, 6-[(2-hydroxyethyl)octylamino]-
CAS Number:
81213-60-7
Molecular Formula:
C16H33NO3
Molecular Weight:
287.4381
IUPAC Name:
6-[2-hydroxyethyl(octyl)amino]hexanoic acid
InChI:
InChI=1S/C16H33NO3/c1-2-3-4-5-6-9-12-17(14-15-18)13-10-7-8-11-16(19)20/h18H,2-15H2,1H3,(H,19,20)
InChI Key:
XHZGGHHYJJNBQH-UHFFFAOYSA-N
SMILES:
CCCCCCCCN(CCCCCC(=O)O)CCO
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.246g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.444g/mol
Monoisotopic Mass:
287.246g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
60.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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