Home Aminos 2,4-Bis[4-(diethylamino)-2-hydroxyphenyl]squaraine

2,4-Bis[4-(diethylamino)-2-hydroxyphenyl]squaraine

CAS No.:
68842-66-0
Catalog Number:
AG00FA5L
Molecular Formula:
C24H28N2O4
Molecular Weight:
408.4901
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(N)
1 week
United States
$227
- +
Product Description
Catalog Number:
AG00FA5L
Chemical Name:
2,4-Bis[4-(diethylamino)-2-hydroxyphenyl]squaraine
CAS Number:
68842-66-0
Molecular Formula:
C24H28N2O4
Molecular Weight:
408.4901
MDL Number:
MFCD00142492
IUPAC Name:
3-(diethylamino)-6-[3-[4-(diethylamino)-2-hydroxyphenyl]-2-hydroxy-4-oxocyclobut-2-en-1-ylidene]cyclohexa-2,4-dien-1-one
InChI:
InChI=1S/C24H28N2O4/c1-5-25(6-2)15-9-11-17(19(27)13-15)21-23(29)22(24(21)30)18-12-10-16(14-20(18)28)26(7-3)8-4/h9-14,27,29H,5-8H2,1-4H3
InChI Key:
ODWFNEITXILTAS-UHFFFAOYSA-N
SMILES:
CC[N+](=C1C=C/C(=C/2\C(=C(C2=O)c2ccc(cc2O)N(CC)CC)[O-])/C(=C1)O)CC
Properties
Complexity:
828  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.205g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
408.498g/mol
Monoisotopic Mass:
408.205g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.4  
Properties