-
Name
N-BOC-HEXAHYDRO-5-OXOCYCLOPENTA[C]PYRROLE
- EINECS
- CAS No. 148404-28-8
- Article Data11
- CAS DataBase
- Density 1.14 g/cm3
- Solubility
- Melting Point
- Formula C12H19NO3
- Boiling Point 325.759 °C at 760 mmHg
- Molecular Weight 225.288
- Flash Point 150.814 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms tert-butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate;
- PSA 46.61000
- LogP 1.77030
5-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester Specification
The cas register number of 5-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester is 148404-28-8. It also can be called as Cyclopenta[c]pyrrole-2(1H)-carboxylicacid, hexahydro-5-oxo-, 1,1-dimethylethyl ester and the Systematic name about this chemical is tert-butyl 5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate.
Physical properties about 5-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester are: (1)ACD/LogP: 1.18; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 42; (5)ACD/KOC (pH 7.4): 42; (6)#H bond acceptors: 4; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 46.61Å2; (9)Index of Refraction: 1.507; (10)Molar Refractivity: 58.846 cm3; (11)Molar Volume: 197.692 cm3; (12)Polarizability: 23.328x10-24cm3; (13)Surface Tension: 41.194 dyne/cm; (14)Flash Point: 150.814 °C; (15)Enthalpy of Vaporization: 56.79 kJ/mol; (16)Boiling Point: 325.759 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC2CC(=O)CC2C1
(2)InChI: InChI=1/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-10(14)5-9(8)7-13/h8-9H,4-7H2,1-3H3
(3)InChIKey: GGNDIMLSSMWKDR-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-10(14)5-9(8)7-13/h8-9H,4-7H2,1-3H3
(5)Std. InChIKey: GGNDIMLSSMWKDR-UHFFFAOYSA-N
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