Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

L-Aspartic acid 4-benzyl ester

Related Products

Hot Products

Name

L-Aspartic acid 4-benzyl ester

EINECS 218-541-8
CAS No. 2177-63-1 Density 1.283 g/cm3
PSA 89.62000 LogP 1.23210
Solubility Insoluble in water. Melting Point ~225 °C (dec.)
Formula C11H13NO4 Boiling Point 413.1 °C at 760 mmHg
Molecular Weight 223.229 Flash Point 203.6 °C
Transport Information N/A Appearance white powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 2177-63-1 (L-Aspartic acid 4-benzyl ester) Hazard Symbols N/A
Synonyms

Asparticacid, 4-benzyl ester, L- (6CI,7CI,8CI);4-Benzyl L-aspartate;Aspartic acid b-benzyl ester;Benzyl aspartate;L-Aspartic acid 4-O-benzyl ester;L-Asparticacid b-benzyl ester;NSC 524167;b-Benzyl L-aspartate;g-Benzyl-L-aspartate;

Article Data 43

L-Aspartic acid 4-benzyl ester Specification

The IUPAC name of H-Asp(OBzl)-OH is 2-amino-4-oxo-4-phenylmethoxybutanoic acid. With the CAS registry number 2177-63-1, it is also named as Benzyl hydrogen beta-L-aspartate. The product's categories are Amino Acids Derivatives; Amino Acids; Aspartic acid [Asp, D]; Amino Acids and Derivatives; alpha-Amino Acids; Amino Acid Benzyl Esters; Amino Acids (C-Protected); Biochemistry. It is white powder which is used as biochemical reagent and pharmaceutical intermediate. People should not breathe dust and avoid contact with skin and eyes. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.03; (4)ACD/LogD (pH 7.4): -1.13; (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: 3; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.563; (13)Molar Refractivity: 56.53 cm3; (14)Molar Volume: 173.9 cm3; (15)Polarizability: 22.41×10-24 cm3; (16)Surface Tension: 56.1 dyne/cm; (17)Enthalpy of Vaporization: 70.2 kJ/mol; (18)Vapour Pressure: 1.46E-07 mmHg at 25°C; (19)Rotatable Bond Count: 6; (20)Exact Mass: 223.084458; (21)MonoIsotopic Mass: 223.084458; (22)Topological Polar Surface Area: 89.6; (23)Heavy Atom Count: 16; (24)Complexity: 248.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(O)[C@@H](N)CC(=O)OCc1ccccc1
2. InChI:InChI=1/C11H13NO4/c12-9(11(14)15)6-10(13)16-7-8-4-2-1-3-5-8/h1-5,9H,6-7,12H2,(H,14,15)/t9-/m0/s1
3. InChIKey:VGALFAWDSNRXJK-VIFPVBQEBN

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 2177-63-1