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223745-04-8

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Basic Information
CAS No.: 223745-04-8
Name: 2H-Benzimidazol-2-one,5-amino-1-ethyl-1,3-dihydro-(9CI)
Article Data: 2
Molecular Structure:
Molecular Structure of 223745-04-8 (2H-Benzimidazol-2-one,5-amino-1-ethyl-1,3-dihydro-(9CI))
Formula: C9H11N3O
Molecular Weight: 177.2031
Synonyms: 2H-Benzimidazol-2-one, 5-amino-1-ethyl-1,3-dihydro-;
Density: 1.248 g/cm3
PSA: 63.81000
LogP: 1.51290
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Specification

The 1-Isopropenyl-2-benzimidazolidinone, with the CAS registry number 223745-04-8, is also known as 2H-Benzimidazol-2-one, 5-amino-1-ethyl-1,3-dihydro-. It belongs to the product category of Benzimidazole. This chemical's molecular formula is C9H11N3O and molecular weight is 177.2031. What's more, its systematic name is called 5-Amino-1-ethyl-1,3-dihydro-2H-benzimidazol-2-one.

Physical properties about 1-Isopropenyl-2-benzimidazolidinone are: (1)ACD/LogP: 0.25; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.31; (8)ACD/KOC (pH 7.4): 32.15; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.79 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 49.81 cm3; (15)Molar Volume: 141.9 cm3; (16)Polarizability: 19.74×10-24 cm3; (17)Surface Tension: 51.4 dyne/cm; (18)Density: 1.248 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2Nc1cc(ccc1N2CC)N
(2) InChI: InChI=1/C9H11N3O/c1-2-12-8-4-3-6(10)5-7(8)11-9(12)13/h3-5H,2,10H2,1H3,(H,11,13)
(3) InChIKey: OLSHHFCQRNBAAK-UHFFFAOYAW