Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
cis-2-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl-N,N-diethyl-1-phenylcyclopropanecarboxamide |
EINECS | 692-500-6 |
CAS No. | 105310-75-6 | Density | 1.254 g/cm3 |
PSA | 57.69000 | LogP | 3.04680 |
Solubility | N/A | Melting Point |
130-132 °C |
Formula | C23H24N2O3 | Boiling Point | 546.101 °C at 760 mmHg |
Molecular Weight | 376.455 | Flash Point | 237.521 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cyclopropanecarboxamide,2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N,N-diethyl-1-phenyl-, cis-; |
Article Data | 5 |
The CAS register number of Cyclopropanecarboxamide,2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N,N-diethyl-1-phenyl-,(1R,2S)-rel- is 105310-75-6. It also can be called as cis-2-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl-N,N-diethyl-1-phenylcyclopropanecarboxamide and the systematic name about this chemical is (1R,2S)-2-[(1,3-dioxoisoindolin-2-yl)methyl]-N,N-diethyl-1-phenyl-cyclopropanecarboxamide. The molecular formula about this chemical is C23H24N2O3 and the molecular weight is 376.45. It belongs to the following product categories, such as Aromatics Compounds; Aromatics; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals and so on. This chemical can be used as Milnacipran intermediate.
Physical properties about Cyclopropanecarboxamide,2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N,N-diethyl-1-phenyl-,(1R,2S)-rel- are: (1)ACD/LogP: 2.28; (2)ACD/LogD (pH 5.5): 2.283; (3)ACD/LogD (pH 7.4): 2.283; (4)ACD/BCF (pH 5.5): 31.985; (5)ACD/BCF (pH 7.4): 31.985; (6)ACD/KOC (pH 5.5): 415.777; (7)ACD/KOC (pH 7.4): 415.777; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 57.69Å2; (11)Index of Refraction: 1.62; (12)Molar Refractivity: 105.344 cm3; (13)Molar Volume: 300.082 cm3; (14)Polarizability: 41.762x10-24cm3; (15)Surface Tension: 55.72 dyne/cm; (16)Enthalpy of Vaporization: 82.511 kJ/mol; (17)Boiling Point: 546.101 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CCN(CC)C(=O)[C@@]1(C[C@@H]1CN2C(=O)c3ccccc3C2=O)c4ccccc4
(2)InChI: InChI=1/C23H24N2O3/c1-3-24(4-2)22(28)23(16-10-6-5-7-11-16)14-17(23)15-25-20(26)18-12-8-9-13-19(18)21(25)27/h5-13,17H,3-4,14-15H2,1-2H3/t17-,23+/m1/s1
(3)InChIKey: JOTWZGIFEGRKFM-HXOBKFHXBO
(4)Std. InChI: InChI=1S/C23H24N2O3/c1-3-24(4-2)22(28)23(16-10-6-5-7-11-16)14-17(23)15-25-20(26)18-12-8-9-13-19(18)21(25)27/h5-13,17H,3-4,14-15H2,1-2H3/t17-,23+/m1/s1
(5)Std. InChIKey: JOTWZGIFEGRKFM-HXOBKFHXSA-N