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Reference substances

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General information

Inventory

EC number:
263-974-8
EC name:
Tris[4-(diethylamino)phenyl]methylium acetate
CAS number:
63157-72-2

No inventory information available

Reference substance information

IUPAC name:
tris[4-(diethylamino)phenyl]methylium acetate
Synonyms
Names:
Identifier:
CAS number
63157-72-2
Identifier:
IUPAC name
Tris[4-(diethylamino)phenyl]methylium acetate
Identifier:
other: SMILES notation
CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.CC(=O)[O-]
Identifier:
other: InChl
InChI=1S/C31H42N3.C2H4O2/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-2(3)4/h13-24H,7-12H2,1-6H3;1H3,(H,3,4)/q+1;/p-1
Identifier:
other: InChl
nChI=1/C31H42N3.C2H4O2/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-2(3)4/h13-24H,7-12H2,1-6H3;1H3,(H,3,4)/q+1;/p-1
tris[4-(diethylamino)phenyl]methylium acetate

CAS information

CAS number:
63157-72-2

Molecular and structural information

Molecular formula:
C31H42N3.C2H3O2
Molecular weight:
517.745
SMILES notation:
CCN(CC)c1ccc(cc1)[C+](c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(CC)CC.CC(=O)[O-]
InChl:
InChI=1/C31H43N3.C2H4O2/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;1-2(3)4/h13-24,31H,7-12H2,1-6H3;1H3,(H,3,4)/q+1;/p-1
Structural formula:
Chemical structure