D-Alanyl-D-alanine supplier

Name
D-Alanyl-D-alanine
EINECS 220-687-2
CAS No. 923-16-0
Article Data14
CAS DataBase
Density 1.208 g/cm³
Solubility
Melting Point 286 - 288oC
Formula C₆H₁₂N₂O₃
Boiling Point 402.6 °C at 760 mmHg
Molecular Weight 160.173
Flash Point 197.3 °C
Transport Information
Appearance WHITE TO OFF-WHITE POWDER
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms H-D-Ala-D-Ala-OH;Alanine,N-D-alanyl-, D- (8CI);D-Alanine, N-D-alanyl-;D-Alanyl-D-alanine;
PSA 92.42000
LogP 0.01410

D-Alanyl-D-alanine Specification

This chemical is called D-Alanine, D-alanyl-, and its CAS registry number is 923-16-0. With the molecular formula of C₆H₁₂N₂O₃, its molecular weight is 160.17. Additionally, its product categories are Dipeptides; Dipeptides and Tripeptides.

Other characteristics of the D-Alanine, D-alanyl- can be summarised as followings: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.66; (4)ACD/LogD (pH 7.4): -3.73; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 38.48 cm³; (15)Molar Volume: 132.5 cm³; (16)Polarizability: 15.25×10^-24cm³; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.208 g/cm³; (19)Flash Point: 197.3 °C; (20)Enthalpy of Vaporization: 71.75 kJ/mol; (21)Boiling Point: 402.6 °C at 760 mmHg; (22)Vapour Pressure: 1.31E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(NC(C(=O)O)C)C(N)C
2.InChI: InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
3.InChIKey: DEFJQIDDEAULHB-UHFFFAOYAT

Product Name

D-Alanyl-D-alanine

D-Alanyl-D-alanine Specification

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