Basic information
- Name:
Cyclopropanecarboxamide,2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N,N-diethyl-1-phenyl-,(1R,2S)-rel-
- Superlist Name:
- cis-2-[(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl-N,N-diethyl-1-phenylcyclopropanecarboxamide
- CAS No.:
105310-75-6
- Molecular Structure:
![Molecular Structure of 105310-75-6 (Cyclopropanecarboxamide,2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N,N-diethyl-1-phenyl-,(1R,2S)-rel-)](http://www.lookchem.com/300w/2010/0612/105310-75-6.jpg)
- Formula:
- C23H24N2O3
- Molecular Weight:
- 376.45
- Synonyms:
- Cyclopropanecarboxamide,2-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-N,N-diethyl-1-phenyl-, cis-;
- Density:
- 1.254 g/cm3
- Melting Point:
- 130-132 °C
- Boiling Point:
- 546.101 °C at 760 mmHg
- Flash Point:
- 237.521 °C
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Specification
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