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CAS No.: 29556-33-0
Name: 1H-Benzimidazolium,2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride (1:1)
Molecular Structure:
Molecular Structure of 29556-33-0 (1H-Benzimidazolium,2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride (1:1))
Formula: C22H24ClN3O2
Molecular Weight: 397.8979
Synonyms: 1H-Benzimidazolium,2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride (9CI);Benzimidazolium, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-,chloride (8CI);Aizen Cathilon Brilliant Flavine GFH;Coumarin 40;
EINECS: 249-694-9
Density: N/A
Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: N/A
Hazard Symbols: N/A
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 42.26000
LogP: 0.62640
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Specification

The 1H-Benzimidazolium,2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride (1:1), with the CAS registry number 29556-33-0, is also known as 1H-Benzimidazolium, 2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)-1,3-dimethyl-, chloride (1:1). Its EINECS registry number is 249-694-9. This chemical's molecular formula is C22H24ClN3O2 and molecular weight is 397.89786. Its systematic name is called 2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-dimethyl-1H-3,1-benzimidazol-3-ium chloride.

Physical properties of 1H-Benzimidazolium,2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-, chloride (1:1): (1)#H bond acceptors: 5; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 38.35 Å2.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=C/2Oc1cc(ccc1\C=C\2c4[n+](c3ccccc3n4C)C)N(CC)CC
(2)InChI: InChI=1/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
(3)InChIKey: LCVNGSHJQQOSDB-REWHXWOFAS