-
Name
2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-methyl-butanoyl]amino]-3-methyl-butanoic acid
- EINECS
- CAS No. 92998-54-4
- Density 1.093 g/cm3
- Solubility
- Melting Point
- Formula C15H29N3O4
- Boiling Point 565.9 °C at 760 mmHg
- Molecular Weight 315.413
- Flash Point 296.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Valine,N-(N-L-valyl-D-valyl)- (7CI);NSC 35941;
- PSA 121.52000
- LogP 1.81800
L-Valine,L-valyl-D-valyl- Specification
The CAS register number of L-Valine,L-valyl-D-valyl- is 92998-54-4. The systematic name about this chemical is valylvalylvaline. The molecular formula about this chemical is C15H29N3O4 and the molecular weight is 315.41296.
Physical properties about L-Valine,L-valyl-D-valyl- are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 9; (10)Polar Surface Area: 70.16 Å2; (11)Index of Refraction: 1.491; (12)Molar Refractivity: 83.64 cm3; (13)Molar Volume: 288.5 cm3; (14)Polarizability: 33.15x10-24cm3; (15)Surface Tension: 40.9 dyne/cm; (16)Density: 1.093 g/cm3; (17)Flash Point: 296.1 °C; (18)Enthalpy of Vaporization: 92.89 kJ/mol; (19)Boiling Point: 565.9 °C at 760 mmHg; (20)Vapour Pressure: 2.75E-14 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C(=O)O)C(C)C)C(NC(=O)C(N)C(C)C)C(C)C
(2)InChI: InChI=1/C15H29N3O4/c1-7(2)10(16)13(19)17-11(8(3)4)14(20)18-12(9(5)6)15(21)22/h7-12H,16H2,1-6H3,(H,17,19)(H,18,20)(H,21,22)
(3)InChIKey: LSLXWOCIIFUZCQ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C15H29N3O4/c1-7(2)10(16)13(19)17-11(8(3)4)14(20)18-12(9(5)6)15(21)22/h7-12H,16H2,1-6H3,(H,17,19)(H,18,20)(H,21,22)
(5)Std. InChIKey: LSLXWOCIIFUZCQ-UHFFFAOYSA-N
Related Products
- L-Valine
- L-Valine benzyl ester 4-toluenesulfonate
- L-Valine benzyl ester hydrochloride
- L-Valine hydrochloride
- L-Valine methyl ester hydrochloride
- L-Valine N-carboxyanhydride
- L-Valine tert.butyl amide
- L-Valine tert-butyl ester hydrochloride
- L-Valine, (2S)-2-cyclohexyl-N-(pyrazinylcarbonyl)glycyl-3-methyl-
- L-Valine, 3-methyl-,1,1-dimethylethyl ester
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