Products Categories
| CAS No.: | 850991-53-6 |
|---|---|
| Name: | Ethyl 6-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate |
| Molecular Structure: | |
|
|
|
| Formula: | C10H15NO3 |
| Molecular Weight: | 197.234 |
| Synonyms: | 3-azabicyclo[3.2.1]octane-3-carboxylic acid, 6-oxo-, ethyl ester, (1S,5R)-;ethyl (1S,5R)-6-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate; |
| Density: | 1.198 |
| Boiling Point: | 311.3 °C at 760 mmHg |
| Flash Point: | 142.1 °C |
| PSA: | 46.61000 |
| LogP: | 0.99170 |
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- Total:18 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The Ethyl 6-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate, with the CAS registry number 850991-53-6, has the systematic name of ethyl (1S,5R)-6-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate. The molecular formula of the chemical is C10H15NO3.
The characteristics of this chemical are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 21.79; (5)ACD/KOC (pH 7.4): 21.79; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 46.61 Å2; (10)Index of Refraction: 1.514; (11)Molar Refractivity: 49.61 cm3; (12)Molar Volume: 164.6 cm3; (13)Polarizability: 19.66×10-24cm3; (14)Surface Tension: 44.1 dyne/cm; (15)Density: 1.198 g/cm3; (16)Flash Point: 142.1 °C; (17)Enthalpy of Vaporization: 55.22 kJ/mol; (18)Boiling Point: 311.3 °C at 760 mmHg; (19)Vapour Pressure: 0.00057 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOC(=O)N1C[C@H]2C[C@H](C1)C(=O)C2
(2)InChI: InChI=1/C10H15NO3/c1-2-14-10(13)11-5-7-3-8(6-11)9(12)4-7/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
(3)InChIKey: YMCVBSNHYFZDOU-JGVFFNPUBL