METHANAMINIUM, N-[4-[BIS[4-(DIMETHYLAMINO)PHENYL]-METHY- LENE]-2,5-CYCLOHEXADIEN-1-YLIDENE]-N-METHYL-, TETRACOSA-Μ- OXODODECAOXO[Μ12-[PHOSPHATO(3-)- O:O:O:O':O':O':O'':O'':O'':O''':O''':O''']]DODECAMOLYBDATE(3-) (3:1)

/static/temp/default.svg Search structure
Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID101015037

Structure

InChI Key KPAYJMRLTWFKQV-UHFFFAOYSA-N
Smiles C.CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C.CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C.CN(C)C1=CC=C(C=C1)C(C1=CC=C(C=C1)N(C)C)=C1C=CC(C=C1)=[N+](C)C
InChI
InChI=1S/3C25H30N3.CH4/c3*1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h3*7-18H,1-6H3;1H4/q3*+1;

Physicochemical Descriptors

Property Name Value
Molecular Formula C76H94N9
Molecular Weight 1132.76
AlogP 14.01
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 12.0
Polar Surface Area 28.47
Heavy Atoms 85.0

Cross References

Resources Reference
CAS NUMBER 67953-39-3
NORMAN SUSDAT
PubChem 11979713
CONTENTS