L-Alanine, L-valyl- supplier | CasNO.27493-61-4

Name
H-VAL-ALA-OH
EINECS
CAS No. 27493-61-4
Article Data13
CAS DataBase
Density 1.134 g/cm³
Solubility
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
Appearance
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;
PSA 92.42000
LogP 0.65020

L-Alanine, L-valyl- Specification

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

Product Name

H-VAL-ALA-OH

L-Alanine, L-valyl- Specification

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