-
Name
(R)-N,N'-Bis(p-methoxybenzyl)-3-isopropyl-piperazine-2,5-dione
- EINECS
- CAS No. 205517-34-6
- Article Data3
- CAS DataBase
- Density 1.172 g/cm3
- Solubility
- Melting Point
- Formula C23H28N2O4
- Boiling Point 618.341 °C at 760 mmHg
- Molecular Weight 396.486
- Flash Point 327.761 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2,5-Piperazinedione,1,4-bis[(4-methoxyphenyl)methyl]-3-(1-methylethyl)-, (S)-;
- PSA 59.08000
- LogP 2.97520
(R)-N,N'-Bis(p-methoxybenzyl)-3-isopropyl-piperazine-2,5-dione Specification
The CAS register number of (R)-N,N'-Bis(p-methoxybenzyl)-3-isopropyl-piperazine-2,5-dione is 205517-34-6. It also can be called as 2,5-Piperazinedione,1,4-bis[(4-methoxyphenyl)methyl]-3-(1-methylethyl)-, (3S)- and the systematic name about this chemical is (3R)-3-isopropyl-1,4-bis[(4-methoxyphenyl)methyl]piperazine-2,5-dione. The molecular formula about this chemical is C23H28N2O4 and molecular weight is 396.49.
Physical properties about (R)-N,N'-Bis(p-methoxybenzyl)-3-isopropyl-piperazine-2,5-dione are: (1)ACD/LogP: 1.23; (2)ACD/LogD (pH 5.5): 1.231; (3)ACD/LogD (pH 7.4): 1.231; (4)ACD/BCF (pH 5.5): 5.077; (5)ACD/BCF (pH 7.4): 5.077; (6)ACD/KOC (pH 5.5): 111.355; (7)ACD/KOC (pH 7.4): 111.355; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 59.08Å2; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 111.396 cm3; (13)Molar Volume: 338.291 cm3; (14)Polarizability: 44.161x10-24cm3; (15)Surface Tension: 46.784 dyne/cm; (16)Enthalpy of Vaporization: 91.677 kJ/mol; (17)Boiling Point: 618.341 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)[C@@H]1C(=O)N(CC(=O)N1Cc2ccc(cc2)OC)Cc3ccc(cc3)OC
(2)InChI: InChI=1/C23H28N2O4/c1-16(2)22-23(27)24(13-17-5-9-19(28-3)10-6-17)15-21(26)25(22)14-18-7-11-20(29-4)12-8-18/h5-12,16,22H,13-15H2,1-4H3/t22-/m1/s1
(3)InChIKey: KFDFRWYJTUSDJG-JOCHJYFZBZ
(4)Std. InChI: InChI=1S/C23H28N2O4/c1-16(2)22-23(27)24(13-17-5-9-19(28-3)10-6-17)15-21(26)25(22)14-18-7-11-20(29-4)12-8-18/h5-12,16,22H,13-15H2,1-4H3/t22-/m1/s1
(5)Std. InChIKey: KFDFRWYJTUSDJG-JOCHJYFZSA-N
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