DIDECYL DIMETHYL AMMONIUM CARBONATE

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Keyword(s): Food Contact Chemicals
Molecule Category Salt-form
UNII 6P2116RFY9
EPA CompTox DTXSID6040329

Structure

InChI Key TXOJCSIIFFMREV-UHFFFAOYSA-L
Smiles [O-]C([O-])=O.CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
InChI
InChI=1S/2C22H48N.CH2O3/c2*1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;2-1(3)4/h2*5-22H2,1-4H3;(H2,2,3,4)/q2*+1;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C45H96N2O3
Molecular Weight 712.74
AlogP 12.24
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 36.0
Polar Surface Area 63.19
Heavy Atoms 50.0

Cross References

Resources Reference
CAS NUMBER 148788-55-0
NORMAN SUSDAT
FDA SRS 6P2116RFY9
PubChem 11513226
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