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CAS No.: | 27493-61-4 |
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Name: | H-VAL-ALA-OH |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C8H16N2O3 |
Molecular Weight: | 188.227 |
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; |
Density: | 1.134 g/cm3 |
Melting Point: | 257 - 258 °C (aq. ethanol) |
Boiling Point: | 401.8 °C at 760 mmHg |
Flash Point: | 196.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 92.42000 |
LogP: | 0.65020 |
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