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66968-12-5

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Basic Information
CAS No.: 66968-12-5
Name: N-[(2-carboxyphenyl)carbonyl]-L-aspartic acid
Molecular Structure:
Molecular Structure of 66968-12-5 (N-[(2-carboxyphenyl)carbonyl]-L-aspartic acid)
Formula: C12H9NO6
Molecular Weight: 263.22
Density: 1.549g/cm3
Boiling Point: 583.3°Cat760mmHg
Flash Point: 306.6°C
Safety: An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
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  • N-PHTHALOYL-l-ASPARTIC ACID

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    N-PHTHALOYL-l-ASPARTIC ACID

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  • N-PHTHALOYL-l-ASPARTIC ACID

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    N-PHTHALOYL-l-ASPARTIC ACID

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Chemistry

Empirical Formula of N-Phthaloyl-L-aspartic acid (CAS NO.66968-12-5): C12H11NO7
Molecular Weight: 281.2182 
Index of Refraction: 1.62
Density: 1.549 g/cm3
Flash Point: 306.6 °C
Enthalpy of Vaporization: 91.7 kJ/mol
Boiling Point: 583.3 °C at 760 mmHg
Vapour Pressure: 1.9E-14 mmHg at 25 °C
Structure of N-Phthaloyl-L-aspartic acid (CAS NO.66968-12-5):
                          
IUPAC Name: (2S)-2-[(2-Carboxybenzoyl)amino]butanedioic acid
Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC(CC(=O)O)C(=O)O)C(=O)O
Isomeric SMILES: C1=CC=C(C(=C1)C(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C12H11NO7/c14-9(15)5-8(12(19)20)13-10(16)6-3-1-2-4-7(6)11(17)18/h1-4,8H,5H2,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t8-/m0/s1
InChIKey: AKKFVDLCUFNNJG-QMMMGPOBSA-N

Safety Profile

An experimental teratogen. Experimental reproductive effects. When heated to decomposition N-Phthaloyl-L-aspartic acid (CAS NO.66968-12-5) emits toxic fumes of NOx.

Specification

 N-Phthaloyl-L-aspartic acid , its cas register number is 66968-12-5. It also can be called Aspartic acid, N-phthaloyl-L- .