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29061-63-0 | Benzenesulfonic acid, dodecyl-, compd. with N,N-diethylethanamine (1:1)
CAS No: 29061-63-0 Catalog No: AG002X7K MDL No:
Product Description
Catalog Number:
AG002X7K
Chemical Name:
Benzenesulfonic acid, dodecyl-, compd. with N,N-diethylethanamine (1:1)
CAS Number:
29061-63-0
Molecular Formula:
C24H45NO3S
Molecular Weight:
427.6840
IUPAC Name:
N,N-diethylethanamine;2-dodecylbenzenesulfonic acid
InChI:
InChI=1S/C18H30O3S.C6H15N/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-4-7(5-2)6-3/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);4-6H2,1-3H3
InChI Key:
FPVUZQOOXYYCIH-UHFFFAOYSA-N
SMILES:
CCN(CC)CC.CCCCCCCCCCCCc1ccccc1S(=O)(=O)O
EC Number:
249-400-9
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.312g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.688g/mol
Monoisotopic Mass:
427.312g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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