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Home Aminos 1H-Benzimidazolium, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride (1:1)

1H-Benzimidazolium, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride (1:1)

CAS No.:
29556-33-0
Catalog Number:
AG002YRG
Molecular Formula:
C22H26ClN3O2
Molecular Weight:
399.9137
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%(HPLC)
In Stock USA
United States
$87
- +
25mg
98%(HPLC)
In Stock USA
United States
$155
- +
100mg
98%(HPLC)
In Stock USA
United States
$433
- +
1g
98%(HPLC)
In Stock USA
United States
$1261
- +
Product Description
Catalog Number:
AG002YRG
Chemical Name:
1H-Benzimidazolium, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride (1:1)
CAS Number:
29556-33-0
Molecular Formula:
C22H26ClN3O2
Molecular Weight:
399.9137
MDL Number:
MFCD31618442
IUPAC Name:
7-(diethylamino)-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)chromen-2-one;chloride
InChI:
InChI=1S/C22H24N3O2.ClH/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;/h7-14H,5-6H2,1-4H3;1H/q+1;/p-1
InChI Key:
LCVNGSHJQQOSDB-UHFFFAOYSA-M
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(c2)C1N(C)c2c([NH+]1C)cccc2)CC.[Cl-]
EC Number:
249-694-9
Properties
Complexity:
570  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.156g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.903g/mol
Monoisotopic Mass:
397.156g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties