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| CAS No.: | 159141-33-0 |
|---|---|
| Name: | (S)-2-((R)-2-CHLOROPROPANAMIDO)-4-CARBAMOYLBUTANOIC ACID |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H13ClN2O4 |
| Molecular Weight: | 236.655 |
| Synonyms: | L-Glutamine, N2-(2-chloro-1-oxopropyl)-, (R)-; |
| Density: | 1.359 g/cm3 |
| Boiling Point: | 600.46 °C at 760 mmHg |
| Flash Point: | 316.947 °C |
| PSA: | 109.49000 |
| LogP: | 0.53980 |
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- Total:38 Page 1 of 1 1
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Specification
The N2-[(2R)-2-Chloropropanoyl]-L-glutamine, with the CAS registry number 159141-33-0, is also known as L-Glutamine, N2-(2-chloro-1-oxopropyl)-, (R)-. This chemical's molecular formula is C8H13ClN2O4 and molecular weight is 236.65. What's more, its systematic name is N2-[(2R)-2-Chloropropanoyl]-L-glutamine.
Physical properties of N2-[(2R)-2-Chloropropanoyl]-L-glutamine are: (1)ACD/LogP: -1.342; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.93; (4)ACD/LogD (pH 7.4): -5.02; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 109.49 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 52.632 cm3; (15)Molar Volume: 174.086 cm3; (16)Polarizability: 20.865×10-24cm3; (17)Surface Tension: 54.3 dyne/cm; (18)Density: 1.359 g/cm3; (19)Flash Point: 316.947 °C; (20)Enthalpy of Vaporization: 97.604 kJ/mol; (21)Boiling Point: 600.46 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H](C(=O)N[C@@H](CCC(=O)N)C(=O)O)Cl
(2)Std. InChI: InChI=1S/C8H13ClN2O4/c1-4(9)7(13)11-5(8(14)15)2-3-6(10)12/h4-5H,2-3H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5+/m1/s1
(3)Std. InChIKey: JAKFXLPGGKWCLJ-UHNVWZDZSA-N