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73720-04-4 | Tetradecanoic acid, compd. with N,N-diethylethanamine (1:1)
CAS No: 73720-04-4 Catalog No: AG005BVE MDL No:
Product Description
Catalog Number:
AG005BVE
Chemical Name:
Tetradecanoic acid, compd. with N,N-diethylethanamine (1:1)
CAS Number:
73720-04-4
Molecular Formula:
C20H43NO2
Molecular Weight:
329.5609
IUPAC Name:
N,N-diethylethanamine;tetradecanoic acid
InChI:
InChI=1S/C14H28O2.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-4-7(5-2)6-3/h2-13H2,1H3,(H,15,16);4-6H2,1-3H3
InChI Key:
LTRKMDQIOFUTQY-UHFFFAOYSA-N
SMILES:
CCN(CC)CC.CCCCCCCCCCCCCC(=O)O
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:
1
Isotope Atom Count:
0
Molecular Weight:
329.569g/mol
Monoisotopic Mass:
329.329g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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