D-Alanine, N-acetyl- supplier

Name
AC-D-ALA-OH
EINECS 202-602-0
CAS No. 19436-52-3
Article Data118
CAS DataBase
Density 1.17 g/cm³
Solubility Slightly soluble in water.
Melting Point 125 °C
Formula C₅H₉NO₃
Boiling Point 369.7 °C at 760 mmHg
Molecular Weight 131.131
Flash Point 177.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-acetyl-, D- (8CI);(R)-(+)-N-Acetylalanine;(R)-2-(Acetylamino)propanoicacid;(R)-N-Acetylalanine;Acetyl-D-alanine;N-Acetyl-D-alanine;NSC 203819;Ac-D-Ala-OH;
PSA 66.40000
LogP -0.01350

D-Alanine, N-acetyl- Specification

The D-Alanine, N-acetyl- is an organic compound with the formula C₅H₉NO₃. The IUPAC name of this chemical is (2R)-2-acetamidopropanoic acid. With the CAS registry number 19436-52-3, it is also named as N-Acetyl-D-alanine. The product's categories are Glycinescaffold; Amino Acids; Amino Acids and Derivatives; A - H; Amino Acids; Modified Amino Acids. It is used in peptide synthesis. Additionally, this chemical should be stored at the temperature of -20 °C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.19; (4)ACD/LogD (pH 7.4): -4.63; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 30.36 cm³; (15)Molar Volume: 112 cm³; (16)Polarizability: 12.03×10^-24 cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Enthalpy of Vaporization: 67.7 kJ/mol; (19)Vapour Pressure: 1.77E-06 mmHg at 25°C; (20)Rotatable Bond Count:2; (21)Tautomer Count: 2; (22)Exact Mass: 131.058243; (23)MonoIsotopic Mass: 131.058243; (24)Topological Polar Surface Area: 66.4; (25)Heavy Atom Count: 9; (26)Complexity: 132; (27)Defined Atom StereoCenter Count: 1.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(NC(C(=O)O)C)C
2. InChI:InChI=1/C5H9NO3/c1-3(5(8)9)6-4(2)7/h3H,1-2H3,(H,6,7)(H,8,9)
3. InChIKey:KTHDTJVBEPMMGL-UHFFFAOYAE

Product Name

AC-D-ALA-OH

D-Alanine, N-acetyl- Specification

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