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Name |
L-Alanine, L-valyl- |
EINECS | N/A |
CAS No. | 27493-61-4 | Density | 1.134 g/cm3 |
PSA | 92.42000 | LogP | 0.65020 |
Solubility | N/A | Melting Point |
257 - 258 °C (aq. ethanol) |
Formula | C8H16N2O3 | Boiling Point | 401.8 °C at 760 mmHg |
Molecular Weight | 188.227 | Flash Point | 196.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Alanine,N-L-valyl-, L- (6CI,7CI,8CI);L-Alanine, N-L-valyl-;2807: PN: EP2071334 SEQID:2929 claimed protein;2807: PN: WO2009077864 SEQID: 2929 claimed protein;452:PN: WO2005081628 SEQID: 1561 claimed protein;L-Valyl-L-alanine;Valylalanine;(2S)-2-{[(2S)-2-ammonio-3-methylbutanoyl]amino}propanoate; |
Article Data | 13 |
The L-Alanine, L-valyl-, with the CAS registry number 27493-61-4, has the systematic name of (2S)-2-{[(2S)-2-ammonio-3-methylbutanoyl]amino}propanoate. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H16N2O3.
The characteristics of L-Alanine, L-valyl- are as followings: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 5; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 57.61 Å2; (7)Index of Refraction: 1.486; (8)Molar Refractivity: 47.71 cm3; (9)Molar Volume: 165.9 cm3; (10)Polarizability: 18.91×10-24cm3; (11)Surface Tension: 43.5 dyne/cm; (12)Density: 1.134 g/cm3; (13)Flash Point: 196.8 °C; (14)Enthalpy of Vaporization: 71.64 kJ/mol; (15)Boiling Point: 401.8 °C at 760 mmHg; (16)Vapour Pressure: 1.4E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]C(=O)[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C
(2)InChI: InChI=1/C8H16N2O3/c1-4(2)6(9)7(11)10-5(3)8(12)13/h4-6H,9H2,1-3H3,(H,10,11)(H,12,13)/t5-,6-/m0/s1
(3)InChIKey: HSRXSKHRSXRCFC-WDSKDSINBH