Home Other Building Blocks BEPHENIUM HYDROXYNAPHTHOATE

BEPHENIUM HYDROXYNAPHTHOATE

CAS No.:
3818-50-6
Catalog Number:
AG00BY9R
Molecular Formula:
C28H29NO4
Molecular Weight:
443.5342
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
99%
1 week
United States
$140
- +
500mg
99%
1 week
United States
$190
- +
Product Description
Catalog Number:
AG00BY9R
Chemical Name:
BEPHENIUM HYDROXYNAPHTHOATE
CAS Number:
3818-50-6
Molecular Formula:
C28H29NO4
Molecular Weight:
443.5342
MDL Number:
MFCD00078960
IUPAC Name:
benzyl-dimethyl-(2-phenoxyethyl)azanium;3-carboxynaphthalen-2-olate
InChI:
InChI=1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1
InChI Key:
PMPQCPQAHTXCDK-UHFFFAOYSA-M
SMILES:
C[N+](Cc1ccccc1)(CCOc1ccccc1)C.[O-]C(=O)c1cc2ccccc2cc1O
EC Number:
223-306-8
UNII:
47RU9546DX
Properties
Complexity:
466  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.21g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
443.543g/mol
Monoisotopic Mass:
443.21g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties