CAS No.75043-31-1,4-AMINO-D,L-BENZYLSUCCINIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	75043-31-1
Name:	4-AMINO-D,L-BENZYLSUCCINIC ACID

Formula:	C₁₁H₁₃NO₄
Molecular Weight:	223.23
Synonyms:	Butanedioicacid, [(4-aminophenyl)methyl]- (9CI);2-(4-Aminobenzyl)succinic acid;
Density:	1.363 g/cm³
Melting Point:	189-190 °C
Boiling Point:	398.9 °C at 760 mmHg
Flash Point:	195 °C
PSA:	100.62000
LogP:	1.56800

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Specification

The CAS registry number of Butanedioic acid,2-[(4-aminophenyl)methyl]- is 75043-31-1. The systematic name is 2-(4-aminobenzyl)butanedioic acid. In addition, the molecular formula is C₁₁H₁₃NO₄ and the molecular weight is 223.23. What's more, it is a kind of colourless crystal and belongs to the classes of Aromatics Compounds; Aromatics; Chelating Agents & Ligands. And it should be stored in a cool and dry place.

Physical properties about Butanedioic acid,2-[(4-aminophenyl)methyl]- are: (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -4.33; (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: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 57.02 cm³; (15)Molar Volume: 163.6 cm³; (16)Polarizability: 22.6 ×10^-24cm³; (17)Surface Tension: 68 dyne/cm; (18)Density: 1.363 g/cm³; (19)Flash Point: 195 °C; (20)Enthalpy of Vaporization: 68.49 kJ/mol; (21)Boiling Point: 398.9 °C at 760 mmHg; (22)Vapour Pressure: 4.45E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(C(=O)O)Cc1ccc(N)cc1
(2)InChI: InChI=1/C11H13NO4/c12-9-3-1-7(2-4-9)5-8(11(15)16)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)(H,15,16)
(3)InChIKey: HWEYHPQQWPDLAY-UHFFFAOYAH