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| CAS No.: | 2147-83-3 |
|---|---|
| Name: | 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one |
| Molecular Structure: | |
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| Formula: | C12H13N3O |
| Molecular Weight: | 215.255 |
| Synonyms: | 2-Benzimidazolinone,1-(1,2,3,6-tetrahydro-4-pyridyl)- (7CI);1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one;1-(1,2,3,6-Tetrahydro-4-pyridyl)-2-benzimidazolinone;1-(1,2,3,6-Tetrahydropyridin-4-yl)-1,3-dihydrobenzimidazol-2-one;NSC 88883;R4748; |
| EINECS: | 218-415-2 |
| Density: | 1.27 g/cm3 |
| Melting Point: | 195-200 °C |
| Boiling Point: | 355.53°C (rough estimate) |
| Appearance: | Light beige to beige powder |
| Hazard Symbols: |
 C
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| Risk Codes: | 34-22 |
| Safety: | 45-36/37/39-26 |
| PSA: | 49.82000 |
| LogP: | 1.49260 |
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Specification
The 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one with cas registry number of 2147-83-3, is also called 2-Benzimidazolinone,1-(1,2,3,6-tetrahydro-4-pyridyl)- (7CI); 1-(1,2,3,6-Tetrahydro-4-pyridyl)-2-benzimidazolinone. The 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one belongs to the following product categories: Heterocycles series. Chemical properties of 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one: light beige to beige powder.
Physical properties of 1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 7.386; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 44.37 Å2; (11)Index of Refraction: 1.63; (12)Molar Refractivity: 60.299 cm3; (13)Molar Volume: 169.541 cm3; (14)Polarizability: 23.904×10-24cm3; (15)Surface Tension: 51.94 dyne/cm.
When you are using this chemical, please be cautious about it as the following:
1,3-Dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazole-2-one is harmful if swallowed. And it also causes burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
You can still convert the following datas into molecular structure: (1)SMILES:c1ccc2c(c1)[nH]c(=O)n2C3=CCNCC3; (2)InChI:InChI=1/C12H13N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,16); (3)InChIKey:YFEOSTXFQCDCAR-UHFFFAOYAH; (4)Std. InChI:InChI=1S/C12H13N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-5,13H,6-8H2,(H,14,16); (5)Std. InChIKey:YFEOSTXFQCDCAR-UHFFFAOYSA-N.