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85068-69-5 | 2-ETHYLHEXANOIC ACID COMPOUND WITH DODECYLAMINE (1:1)
CAS No: 85068-69-5 Catalog No: AG004S7F MDL No:
Product Description
Catalog Number:
AG004S7F
Chemical Name:
2-ETHYLHEXANOIC ACID COMPOUND WITH DODECYLAMINE (1:1)
CAS Number:
85068-69-5
Molecular Formula:
C20H43NO2
Molecular Weight:
329.5609
IUPAC Name:
dodecan-1-amine;2-ethylhexanoic acid
InChI:
InChI=1S/C12H27N.C8H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13;1-3-5-6-7(4-2)8(9)10/h2-13H2,1H3;7H,3-6H2,1-2H3,(H,9,10)
InChI Key:
HCXQCXTTWLTPAF-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)O)CC.CCCCCCCCCCCCN
EC Number:
285-327-9
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.329g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.569g/mol
Monoisotopic Mass:
329.329g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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