-
Name
4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester
- EINECS
- CAS No. 87120-81-8
- Article Data28
- CAS DataBase
- Density 1.219 g/cm3
- Solubility
- Melting Point 156-159 °C
- Formula C17H23N3O3
- Boiling Point
- Molecular Weight 317.388
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1-(1-tert-butoxycarbonyl-4-piperidinyl)-2-benzimidazolone;1,3-dihydro-1-(1-tert-butyloxycarbonylpiperidin-4-yl)-2H-benzimidazol-2-one;4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester;tert-Butyl 4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidine-1-carboxylate;Y6447;4-(2-oxo-2,3-dihydrobenzoimidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester;4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-l-carboxylic acid tert-butyl ester;4-(2-oxo-2,3-dihydro-benzimidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester;
- PSA 67.59000
- LogP 3.25180
4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester Specification
The 4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester is an organic compound with the formula C17H23N3O3. The systematic name of this chemical is tert-butyl 4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidine-1-carboxylate.
The other characteristics of 4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester can be summarized as: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 27; (6)ACD/BCF (pH 7.4): 27; (7)ACD/KOC (pH 5.5): 368; (8)ACD/KOC (pH 7.4): 368; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 61.88 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 85.732 cm3; (15)Molar Volume: 260.465 cm3; (16)Polarizability: 33.987×10-24 cm3; (17)Surface Tension: 49.091 dyne/cm; (18)Density: 1.219 g/cm3.
People can use the following data to convert to the molecule structure.
1. SMILES:O=C3Nc1ccccc1N3C2CCN(CC2)C(=O)OC(C)(C)C
2. InChI:InChI=1/C17H23N3O3/c1-17(2,3)23-16(22)19-10-8-12(9-11-19)20-14-7-5-4-6-13(14)18-15(20)21/h4-7,12H,8-11H2,1-3H3,(H,18,21)
3. InChIKey:STEAYGPTLHZMJU-UHFFFAOYAE
4. Std. InChI:InChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)19-10-8-12(9-11-19)20-14-7-5-4-6-13(14)18-15(20)21/h4-7,12H,8-11H2,1-3H3,(H,18,21)
5. Std. InChIKey:STEAYGPTLHZMJU-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View