Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-Benzylaminodiacetic acid |
EINECS | 223-631-5 |
CAS No. | 3987-53-9 | Density | 1.326 g/cm3 |
PSA | 77.84000 | LogP | 0.65780 |
Solubility | very faint turbidity in hot Water | Melting Point |
200-202 °C (dec.)(lit.) |
Formula | C11H13NO4 | Boiling Point | 420.9 °C at 760 mmHg |
Molecular Weight | 223.229 | Flash Point | 208.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
glycine, N-(carboxymethyl)-N-(phenylmethyl)-; |
Article Data | 13 |
The CAS register number of N-Benzylaminodiacetic acid is 3987-53-9. It also can be called as glycine, N-(carboxymethyl)-N-(phenylmethyl)- and the IUPAC name about this chemical is 2-[benzyl(carboxymethyl)amino]acetic acid. The molecular formula about this chemical is C11H13NO4 and the molecular weight is 223.23. It belongs to the following product categories which include Aliphatics; Carboxylic Acids; Carboxylic Acids; C11 to C12; Carbonyl Compounds and so on.
Physical properties about N-Benzylaminodiacetic acid are: (1)ACD/LogP: 1.51; (2)ACD/LogD (pH 5.5): -1.99; (3)ACD/LogD (pH 7.4): -2.03; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84Å2; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 56.55 cm3; (14)Molar Volume: 168.2 cm3; (15)Polarizability: 22.41x10-24cm3; (16)Surface Tension: 62.1 dyne/cm; (17)Enthalpy of Vaporization: 71.14 kJ/mol; (18)Boiling Point: 420.9 °C at 760 mmHg; (19)Vapour Pressure: 7.78E-08 mmHg at 25°C.
Preparation: this chemical can be prepared by azanediyl-bis-acetic acid at heating. This reaction will need reagent ammonium formate, catalyst 10percent Pd-C and solvent methanol. The reaction time is 10 min. The yield is about 64%.
Uses of N-Benzylaminodiacetic acid: it can be used to produce 4-benzyl-πperazine-2,6-dione at temperature of 176 ℃. This reaction will need reagent urea with reaction time of 20 min. The yield is about 31%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CN(CC(=O)O)Cc1ccccc1
(2)InChI: InChI=1/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)
(3)InChIKey: SZQUPQVVCLFZLC-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16)
(5)Std. InChIKey: SZQUPQVVCLFZLC-UHFFFAOYSA-N