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23246-65-3 | Tetradecanoic acid, compd. with 1-phenylpiperazine (1:1)
CAS No: 23246-65-3 Catalog No: AG002MND MDL No:
Product Description
Catalog Number:
AG002MND
Chemical Name:
Tetradecanoic acid, compd. with 1-phenylpiperazine (1:1)
CAS Number:
23246-65-3
Molecular Formula:
C24H42N2O2
Molecular Weight:
390.6025
IUPAC Name:
1-phenylpiperazine;tetradecanoic acid
InChI:
InChI=1S/C14H28O2.C10H14N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-4-10(5-3-1)12-8-6-11-7-9-12/h2-13H2,1H3,(H,15,16);1-5,11H,6-9H2
InChI Key:
CWRCRWNINNGAEH-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)N1CCNCC1.CCCCCCCCCCCCCC(=O)O
NSC Number:
110645
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.325g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.612g/mol
Monoisotopic Mass:
390.325g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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